JCAP

(““)

https://solarfuelshub.org/

combined from CaltechAUTHORS

• Ifkovits, Zachary P.; Reed, Jillian T.; et al. (2023) Spontaneous mesostructure formation produces optically transmissive Ni–P films that are catalytically active for the photoelectrochemical hydrogen evolution reaction; Sustainable Energy & Fuels; Vol. 7; No. 18; 4401-4406; 10.1039/d3se00378g
• Statt, Michael J.; Rohr, Brian A.; et al. (2023) ESAMP: event-sourced architecture for materials provenance management and application to accelerated materials discovery; Digital Discovery; Vol. 2; No. 4; 1078-1088; 10.1039/d3dd00054k
• Statt, Michael J.; Rohr, Brian A.; et al. (2023) The materials experiment knowledge graph; Digital Discovery; Vol. 2; No. 4; 909-914; 10.1039/d3dd00067b
• Statt, Michael J.; Rohr, Brian A.; et al. (2023) The Materials Experiment Knowledge Graph; 10.26434/chemrxiv-2023-md55t
• Statt, Michael J.; Rohr, Brian A.; et al. (2023) The Materials Provenance Store; Scientific Data; Vol. 10; 184; PMCID PMC10079965; 10.1038/s41597-023-02107-0
• Ifkovits, Zachary P.; Evans, Jake M.; et al. (2022) Powdered Mn_(y)Sb_(1-y)O_(x) Catalysts for Cerium-Mediated Oxygen Evolution in Acidic Environments; ACS Energy Letters; Vol. 7; No. 12; 4258-4264; 10.1021/acsenergylett.2c01754
• Segev, Gideon; Kibsgaard, Jakob; et al. (2022) The 2022 solar fuels roadmap; Journal of Physics D: Applied Physics; Vol. 55; No. 32; Art. No. 323003; 10.1088/1361-6463/ac6f97
• Yu, Weilai; Buabthong, Pakpoom; et al. (2022) Failure Modes of Platinized pn⁺-GaInP Photocathodes for Solar-Driven H₂ Evolution; ACS Applied Materials & Interfaces; Vol. 14; No. 23; 26622-26630; 10.1021/acsami.2c01845
• Chen, Yikai and Lewis, Nathan (2022) Numerical Simulation and Modeling of Hydrogen Gas Evolution on Planar and Microwire Array Electrodes; Journal of the Electrochemical Society; Vol. 169; No. 6; Art. No. 066510; 10.1149/1945-7111/ac751e
• Chang, Benjamin K.; Zhou, Jin-Jian; et al. (2022) Intermediate polaronic charge transport in organic crystals from a many-body first-principles approach; npj Computational Materials; Vol. 8; Art. No. 63; 10.1038/s41524-022-00742-6
• Kong, Shufeng; Ricci, Francesco; et al. (2022) Density of states prediction for materials discovery via contrastive learning from probabilistic embeddings; Nature Communications; Vol. 13; Art. No. 949; 10.1038/s41467-022-28543-x
• Lamaison, Sarah; Wakerley, David; et al. (2022) Designing a Zn–Ag Catalyst Matrix and Electrolyzer System for CO₂ Conversion to CO and Beyond; Advanced Materials; Vol. 34; No. 1; Art. No. 2103963; 10.1002/adma.202103963
• Fu, Harold J.; Buabthong, Pakpoom; et al. (2022) Catalytic open-circuit passivation by thin metal oxide films of p-Si anodes in aqueous alkaline electrolytes; Energy and Environmental Science; Vol. 15; No. 1; 334-345; 10.1039/d1ee03040j
• Yu, Weilai; Young, James L.; et al. (2021) Understanding the Stability of Etched or Platinized p-GaInP Photocathodes for Solar-Driven H₂ Evolution; ACS Applied Materials & Interfaces; Vol. 13; No. 48; 57350-57361; 10.1021/acsami.1c18243
• Truttmann, Tristan K.; Zhou, Jin-Jian; et al. (2021) Combined experimental-theoretical study of electron mobility-limiting mechanisms in SrSnO₃; Communications Physics; Vol. 4; Art. No. 241; 10.1038/s42005-021-00742-w
• Yu, Weilai; Richter, Matthias H.; et al. (2021) Investigations of the stability of etched or platinized p-InP(100) photocathodes for solar-driven hydrogen evolution in acidic or alkaline aqueous electrolytes; Energy & Environmental Science; Vol. 14; No. 11; 6007-6020; 10.1039/d1ee02809j
• Yu, Weilai; Richter, Matthias H.; et al. (2021) Investigations of the stability of GaAs for photoelectrochemical H₂ evolution in acidic or alkaline aqueous electrolytes; Journal of Materials Chemistry A; Vol. 9; No. 40; 22958-22972; 10.1039/d1ta04145b
• Buabthong, Pakpoom; Evans, Jake M.; et al. (2021) GaAs Microisland Anodes Protected by Amorphous TiO₂ Films Mitigate Corrosion Spreading During Water Oxidation in Alkaline Electrolytes; ACS Energy Letters; Vol. 6; No. 10; 3709-3714; 10.1021/acsenergylett.1c01174
• Yadegari, Hossein; Ozden, Adnan; et al. (2021) Glycerol Oxidation Pairs with Carbon Monoxide Reduction for Low-Voltage Generation of C₂ and C₃ Product Streams; ACS Energy Letters; Vol. 6; No. 10; 3538-3544; 10.1021/acsenergylett.1c01639
• Kwon, Soonho; Kim, Youn-Geun; et al. (2021) Dramatic Change in the Step Edges of the Cu(100) Electrocatalyst upon Exposure to CO: Operando Observations by Electrochemical STM and Explanation Using Quantum Mechanical Calculations; ACS Catalysis; Vol. 11; No. 19; 12068-12074; 10.1021/acscatal.1c02844
• Richter, Matthias H.; Peterson, Elizabeth A.; et al. (2021) Band Edge Energy Tuning through Electronic Character Hybridization in Ternary Metal Vanadates; Chemistry of Materials; Vol. 33; No. 18; 7242-7253; 10.1021/acs.chemmater.1c01415
• Zhou, Jin-Jian; Park, Jinsoo; et al. (2021) Ab Initio Electron-Phonon Interactions in Correlated Electron Systems; Physical Review Letters; Vol. 127; No. 12; Art. No. 126404; 10.1103/PhysRevLett.127.126404
• Yang, Lusann; Haber, Joel A.; et al. (2021) Discovery of complex oxides via automated experiments and data science; Proceedings of the National Academy of Sciences; Vol. 118; No. 37; Art. No. e2106042118; PMCID PMC8449358; 10.1073/pnas.2106042118
• Stach, Eric; DeCost, Brian; et al. (2021) Autonomous experimentation systems for materials development: A community perspective; Matter; Vol. 4; No. 9; 2702-2726; 10.1016/j.matt.2021.06.036
• Ifkovits, Zachary P.; Evans, Jake M.; et al. (2021) Decoupled electrochemical water-splitting systems: a review and perspective; Energy and Environmental Science; Vol. 14; No. 9; 4740-4759; 10.1039/d1ee01226f
• Chen, Di; Bai, Yiwei; et al. (2021) Automating crystal-structure phase mapping by combining deep learning with constraint reasoning; Nature Machine Intelligence; Vol. 3; No. 9; 812-822; 10.1038/s42256-021-00384-1
• Guerrero Vela, Pedro Pablo; Polk, James E.; et al. (2021) Dynamic thermal behavior of polycrystalline LaB₆ hollow cathodes; Journal of Applied Physics; Vol. 130; No. 8; Art. No. 083303; 10.1063/5.0058607
• Wang, Lei; Peng, Hongjie; et al. (2021) Bimetallic effects on Zn-Cu electrocatalysts enhance activity and selectivity for the conversion of CO₂ to CO; Chem Catalysis; Vol. 1; No. 3; 663-680; 10.1016/j.checat.2021.05.006
• Nunez, Paul; Cabán-Acevedo, Miguel; et al. (2021) Origin of the Electrical Barrier in Electrolessly Deposited Platinum Nanoparticles on p-Si Surfaces; Journal of Physical Chemistry C; Vol. 125; No. 32; 17660-17670; 10.1021/acs.jpcc.1c03072
• Buckley, Aya K.; Cheng, Tao; et al. (2021) Approaching 100% Selectivity at Low Potential on Ag for Electrochemical CO₂ Reduction to CO Using a Surface Additive; ACS Catalysis; Vol. 11; No. 15; 9034-9042; 10.1021/acscatal.1c00830
• Zhou, Jin-Jian; Park, Jinsoo; et al. (2021) Perturbo: A software package for ab initio electron–phonon interactions, charge transport and ultrafast dynamics; Computer Physics Communications; Vol. 264; Art. No. 107970; 10.1016/j.cpc.2021.107970
• Li, Xueqian; Liu, Jie; et al. (2021) Untangling Thermal and Nonthermal Effects in Plasmonic Photocatalysis; ISBN 9783527347506; Plasmonic Catalysis: From Fundamentals to Applications; Wiley: Weinheim; 191-230; 10.1002/9783527826971.ch7
• Statt, Michael J.; Rohr, Brian A.; et al. (2021) ESAMP: Event-Sourced Architecture for Materials Provenance Management and Application to Accelerated Materials Discovery; 10.26434/chemrxiv.14583258.v1
• Liu, Guiji; Lee, Michelle; et al. (2021) CO₂ reduction on pure Cu produces only H₂ after subsurface O is depleted: Theory and experiment; Proceedings of the National Academy of Sciences of the United States of America; Vol. 118; No. 23; Art. No. e2012649118; PMCID PMC8201769; 10.1073/pnas.2012649118
• Li, Hao; Kelly, Sara; et al. (2021) Analysis of the limitations in the oxygen reduction activity of transition metal oxide surfaces; Nature Catalysis; Vol. 4; No. 6; 463-468; 10.1038/s41929-021-00618-w
• Lee, Nien-En; Chen, Hsiao-Yi; et al. (2021) Facile ab initio approach for self-localized polarons from canonical transformations; Physical Review Materials; Vol. 5; No. 6; Art. No. 063805; 10.1103/PhysRevMaterials.5.063805
• Kong, Shufeng; Guevarra, Dan; et al. (2021) Materials representation and transfer learning for multi-property prediction; Applied Physics Reviews; Vol. 8; No. 2; Art. No. 021409; 10.1063/5.0047066
• Shi, Ye; Ilic, Ognjen; et al. (2021) All-day fresh water harvesting by microstructured hydrogel membranes; Nature Communications; Vol. 12; Art. No. 2797; PMCID PMC8121874; 10.1038/s41467-021-23174-0
• Li, Rengui; Cheng, Wen-Hui; et al. (2021) Unassisted Highly Selective Gas-Phase CO₂ Reduction with a Plasmonic Au/p-GaN Photocatalyst Using H₂O as an Electron Donor; ACS Energy Letters; Vol. 6; No. 5; 1849-1856; 10.1021/acsenergylett.1c00392
• Wen, Yunzhou; Chen, Peining; et al. (2021) Stabilizing Highly Active Ru Sites by Suppressing Lattice Oxygen Participation in Acidic Water Oxidation; Journal of the American Chemical Society; Vol. 143; No. 17; 6482-6490; 10.1021/jacs.1c00384
• Lindley, Sarah A.; An, Qi; et al. (2021) Spatiotemporal Temperature and Pressure in Thermoplasmonic Gold Nanosphere-Water Systems; ACS Nano; Vol. 15; No. 4; 6276-6288; 10.1021/acsnano.0c09804
• Thevenon, Arnaud; Rosas-Hernández, Alonso; et al. (2021) Dramatic HER Suppression on Ag Electrodes via Molecular Films for Highly Selective CO₂ to CO Reduction; ACS Catalysis; Vol. 11; No. 8; 4530-4537; 10.1021/acscatal.1c00338
• Desai, Dhruv C.; Zviazhynski, Bahdan; et al. (2021) Magnetotransport in semiconductors and two-dimensional materials from first principles; Physical Review B; Vol. 103; No. 16; Art. No. L161103; 10.1103/PhysRevB.103.L161103
• Ozden, Adnan; Wang, Yuhang; et al. (2021) Cascade CO₂ electroreduction enables efficient carbonate-free production of ethylene; Joule; Vol. 5; No. 3; 706-719; 10.1016/j.joule.2021.01.007
• Baricuatro, Jack H.; Kwon, Soonho; et al. (2021) Operando Electrochemical Spectroscopy for CO on Cu(100) at pH 1 to 13: Validation of Grand Canonical Potential Predictions; ACS Catalysis; Vol. 11; No. 5; 3173-3181; 10.1021/acscatal.0c05564
• Finke, Cody E.; Leandri, Hugo F.; et al. (2021) Economically advantageous pathways for reducing greenhouse gas emissions from industrial hydrogen under common, current economic conditions; Energy and Environmental Science; Vol. 14; No. 3; 1517-1529; 10.1039/d0ee03768k
• Jiang, Hongyan; Tao, Xuecheng; et al. (2021) Small Nuclear Quantum Effects in Scattering of H and D from Graphene; Journal of Physical Chemistry Letters; Vol. 12; No. 7; 1991-1996; 10.1021/acs.jpclett.0c02933
• Wang, Jianchun; Cheng, Tao; et al. (2021) Selective CO₂ Electrochemical Reduction Enabled by a Tricomponent Copolymer Modifier on a Copper Surface; Journal of the American Chemical Society; Vol. 143; No. 7; 2857-2865; 10.1021/jacs.0c12478
• Kennedy, Kathleen M.; Kempler, Paul Andrew; et al. (2021) Primary Corrosion Processes for Polymer-Embedded Free-Standing or Substrate-Supported Silicon Microwire Arrays in Aqueous Alkaline Electrolytes; Nano Letters; Vol. 21; No. 2; 1056-1061; 10.1021/acs.nanolett.0c04298
• Banin, U.; Waiskopf, N; et al. (2021) Nanotechnology for catalysis and solar energy conversion; Nanotechnology; Vol. 32; No. 4; Art. No. 042003; 10.1088/1361-6528/abbce8
• Shen, Xin; Yao, Maoqing; et al. (2021) Defect-Tolerant TiO₂-Coated and Discretized Photoanodes for >600 h of Stable Photoelectrochemical Water Oxidation; ACS Energy Letters; Vol. 6; No. 1; 193-200; 10.1021/acsenergylett.0c02521
• Naserifar, Saber; Chen, Yalu; et al. (2021) Artificial Intelligence and QM/MM with a Polarizable Reactive Force Field for Next-Generation Electrocatalysts; Matter; Vol. 4; No. 1; 195-216; 10.1016/j.matt.2020.11.010
• Kempler, Paul A.; Ifkovits, Zachary P.; et al. (2021) Optical and electrochemical effects of H₂ and O₂ bubbles at upward-facing Si photoelectrodes; Energy and Environmental Science; Vol. 14; No. 1; 414-423; 10.1039/d0ee02796k
• Newhouse, Paul F.; Zhou, Lan; et al. (2020) Bi Alloying into Rare Earth Double Perovskites Enhances Synthesizability and Visible Light Absorption; ACS Combinatorial Science; Vol. 22; No. 12; 895-901; 10.1021/acscombsci.0c00177
• Sutherland, Duncan R.; Connolly, Aine Boyer; et al. (2020) Optical Identification of Materials Transformations in Oxide Thin Films; ACS Combinatorial Science; Vol. 22; No. 12; 887-894; 10.1021/acscombsci.0c00172
• Flores Espinosa, Michelle M.; Cheng, Tao; et al. (2020) Compressed Intermetallic PdCu for Enhanced Electrocatalysis; ACS Energy Letters; Vol. 5; No. 12; 3672-3680; 10.1021/acsenergylett.0c01959
• Baricuatro, Jack H.; Kim, Youn-Geun; et al. (2020) Tracking the prelude of the electroreduction of carbon monoxide via its interaction with Cu(100): Studies by operando scanning tunneling microscopy and infrared spectroscopy; Catalysis Today; Vol. 358; 210-214; 10.1016/j.cattod.2020.01.028
• Goddard, William A., III (2020) New Quantum Mechanics Based Methods for Multiscale Simulations with Applications to Reaction Mechanisms for Electrocatalysis; Topics in Catalysis; Vol. 63; No. 19-20; 1658-1666; 10.1007/s11244-020-01369-x
• Tagliabue, Giulia; DuChene, Joseph S.; et al. (2020) Ultrafast hot-hole injection modifies hot-electron dynamics in Au/p-GaN heterostructures; Nature Materials; Vol. 19; No. 12; 1312-1318; 10.1038/s41563-020-0737-1
• Ribson, Ryan D.; Choi, Gyeongshin; et al. (2020) Controlling Singlet Fission with Coordination Chemistry-Induced Assembly of Dipyridyl Pyrrole Bipentacenes; ACS Central Science; Vol. 6; No. 11; 2088-2096; PMCID PMC7706079; 10.1021/acscentsci.0c01044
• Bui, Justin C.; Digdaya, Ibadillah; et al. (2020) Understanding Multi-Ion Transport Mechanisms in Bipolar Membranes; ACS Applied Materials & Interfaces; Vol. 12; No. 47; 52509-52526; 10.1021/acsami.0c12686
• Chen, Yikai; Lewis, Nathan S.; et al. (2020) Modeling the Performance of A Flow-Through Gas Diffusion Electrode for Electrochemical Reduction of CO or CO₂; Journal of The Electrochemical Society; Vol. 167; No. 11; Art. No. 114503; 10.1149/1945-7111/ab987a
• Newhouse, Paul F.; Guevarra, Dan; et al. (2020) Enhanced Bulk Transport in Copper Vanadate Photoanodes Identified by Combinatorial Alloying; Matter; Vol. 3; No. 5; 1601-1613; 10.1016/j.matt.2020.08.032
• Zhou, Lan; Shinde, Aniketa; et al. (2020) Quaternary Oxide Photoanode Discovery Improves the Spectral Response and Photovoltage of Copper Vanadates; Matter; Vol. 3; No. 5; 1614-1630; 10.1016/j.matt.2020.08.031
• Fu, Harold J.; Moreno-Hernandez, Ivan A.; et al. (2020) Enhanced stability of silicon for photoelectrochemical water oxidation through self-healing enabled by an alkaline protective electrolyte; Energy and Environmental Science; Vol. 13; No. 11; 4132-4141; 10.1039/d0ee02250k
• Buabthong, Pakpoom; Ifkovits, Zachary P.; et al. (2020) Failure modes of protection layers produced by atomic layer deposition of amorphous TiO₂ on GaAs anodes; Energy and Environmental Science; Vol. 13; No. 11; 4269-4279; 10.1039/d0ee02032j
• Lin, Yi-Rung; Cheng, Wen-Hui; et al. (2020) Band Edge Tailoring in Few-Layer Two-Dimensional Molybdenum Sulfide/Selenide Alloys; Journal of Physical Chemistry C; Vol. 124; No. 42; 22893-22902; 10.1021/acs.jpcc.0c04719
• Baricuatro, Jack H.; Kim, Youn-Geun; et al. (2020) Reprint of “Selective conversion of CO into ethanol on Cu(511) surface reconstructed from Cu(pc): Operando studies by electrochemical scanning tunneling microscopy, mass spectrometry, quartz crystal nanobalance, and infrared spectroscopy”; Journal of Electroanalytical Chemistry; Vol. 875; Art. No. 114757; 10.1016/j.jelechem.2020.114757
• Yu, Weilai; Buabthong, Pakpoom; et al. (2020) Cathodic NH₄⁺ leaching of nitrogen impurities in CoMo thin-film electrodes in aqueous acidic solutions; Sustainable Energy and Fuels; Vol. 4; No. 10; 5080-5087; 10.1039/d0se00674b
• Choi, Chungseok; Kwon, Soonho; et al. (2020) Highly active and stable stepped Cu surface for enhanced electrochemical CO₂ reduction to C₂H₄; Nature Catalysis; Vol. 3; No. 10; 804-812; 10.1038/s41929-020-00504-x
• Jhalani, Vatsal A.; Zhou, Jin-Jian; et al. (2020) Piezoelectric Electron-Phonon Interaction from Ab Initio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN; Physical Review Letters; Vol. 125; No. 13; Art. No. 136602; 10.1103/PhysRevLett.125.136602
• Chapovetsky, Alon; Liu, Jeffrey J.; et al. (2020) Electronically Modified Cobalt Aminopyridine Complexes Reveal an Orthogonal Axis for Catalytic Optimization for CO₂ Reduction; Inorganic Chemistry; Vol. 59; No. 18; 13709-13718; 10.1021/acs.inorgchem.0c02086
• Park, Jinsoo; Zhou, Jin-Jian; et al. (2020) Long-range quadrupole electron-phonon interaction from first principles; Physical Review B; Vol. 102; No. 12; Art. No. 125203; 10.1103/PhysRevB.102.125203
• Ozden, Adnan; Li, Fengwang; et al. (2020) High-Rate and Efficient Ethylene Electrosynthesis Using a Catalyst/Promoter/Transport Layer; ACS Energy Letters; Vol. 5; No. 9; 2811-2818; 10.1021/acsenergylett.0c01266
• Digdaya, Ibadillah A.; Sullivan, Ian; et al. (2020) A direct coupled electrochemical system for capture and conversion of CO₂ from oceanwater; Nature Communications; Vol. 11; Art. No. 4412; PMCID PMC7474062; 10.1038/s41467-020-18232-y
• Wang, Zhijiang; Yuan, Qi; et al. (2020) Highly Selective Electrocatalytic Reduction of CO₂ into Methane on Cu–Bi Nanoalloys; Journal of Physical Chemistry Letters; Vol. 11; No. 17; 7261-7266; 10.1021/acs.jpclett.0c01261
• Kempler, Paul A.; Richter, Matthias H.; et al. (2020) Si Microwire-Array Photocathodes Decorated with Cu Allow CO₂ Reduction with Minimal Parasitic Absorption of Sunlight; ACS Energy Letters; Vol. 5; No. 8; 2528-2534; 10.1021/acsenergylett.0c01334
• Yang, Fan; Zhou, Xinghao; et al. (2020) Evaluation of sputtered nickel oxide, cobalt oxide and nickel–cobalt oxide on n-type silicon photoanodes for solar-driven O₂(g) evolution from water; Journal of Materials Chemistry A; Vol. 8; No. 28; 13955-13963; 10.1039/d0ta03725g
• Lee, Soo Hong; Sullivan, Ian; et al. (2020) Correlating Oxidation State and Surface Area to Activity from Operando Studies of Copper CO Electroreduction Catalysts in a Gas-fed Device; ACS Catalysis; Vol. 10; No. 14; 8000-8011; 10.1021/acscatal.0c01670
• Yu, Weilai; Fu, Harold J.; et al. (2020) Atomic force microscopy: Emerging illuminated and operando techniques for solar fuel research; Journal of Chemical Physics; Vol. 153; No. 2; Art. No. 020902; 10.1063/5.0009858
• Jiang, Hongyan; Tao, Xuecheng; et al. (2020) Nuclear Quantum Effects in Scattering of H and D from Graphene; 10.48550/arXiv.2007.03372
• Zhang, Zemin; Lindley, Sarah A.; et al. (2020) Fermi Level Engineering of Passivation and Electron Transport Materials for p-Type CuBi₂O₄ Employing a High‐Throughput Methodology; Advanced Functional Materials; Vol. 30; No. 24; Art. No. 2000948; 10.1002/adfm.202000948
• Umehara, Mitsutaro; Zhou, Lan; et al. (2020) Combinatorial synthesis of oxysulfides in the lanthanum-bismuth-copper system; ACS Combinatorial Science; Vol. 22; No. 6; 319-326; 10.1021/acscombsci.0c00015
• Ye, Yifan; Qian, Jin; et al. (2020) Synergy between Silver-Copper Surface Alloy Composition and Carbon Dioxide Adsorption and Activation; ACS Applied Materials & Interfaces; Vol. 12; No. 22; 25374-25382; 10.1021/acsami.0c02057
• Kempler, Paul A.; Coridan, Robert H.; et al. (2020) Effects of bubbles on the electrochemical behavior of hydrogen-evolving Si microwire arrays oriented against gravity; Energy and Environmental Science; Vol. 13; No. 6; 1808-1817; 10.1039/d0ee00356e
• Cao, Jinshan; Cheng, Zhiqiang; et al. (2020) Patterned nanofiber air filters with high optical transparency, robust mechanical strength, and effective PM_(2.5) capture capability; RSC Advances; Vol. 10; No. 34; 20155-20161; 10.1039/d0ra01967d
• Tagliabue, Giulia; DuChene, Joseph S.; et al. (2020) Hot Hole versus Hot Electron Transport at Copper/GaN Heterojunction Interfaces; ACS Nano; Vol. 14; No. 5; 5788-5797; 10.1021/acsnano.0c00713
• Moreno-Hernandez, Ivan A.; Yalamanchili, Sisir; et al. (2020) Conformal SnO_x heterojunction coatings for stabilized photoelectrochemical water oxidation using arrays of silicon microcones; Journal of Materials Chemistry A; Vol. 8; No. 18; 9292-9301; 10.1039/d0ta01144d
• Chen, Yalu; Cheng, Tao; et al. (2020) Atomistic Explanation of the Dramatically Improved Oxygen Reduction Reaction of Jagged Platinum Nanowires, 50 times better than Pt; Journal of the American Chemical Society; Vol. 142; No. 19; 8625-8632; 10.1021/jacs.9b13218
• Zhou, Lan; Shinde, Aniketa; et al. (2020) On the successes and opportunities for discovery of metal oxide photoanodes for solar fuels generators; ACS Energy Letters; Vol. 5; No. 5; 1413-1421; 10.1021/acsenergylett.0c00067
• Hossain, Md Delowar; Huang, Yufeng; et al. (2020) Reaction mechanism and kinetics for CO₂ reduction on nickel single atom catalysts from quantum mechanics; Nature Communications; Vol. 11; Art. No. 2256; PMCID PMC7205999; 10.1038/s41467-020-16119-6
• Sato, Shunsuke; McNicholas, Brendon J.; et al. (2020) Aqueous electrocatalytic CO₂ reduction using metal complexes dispersed in polymer ion gels; Chemical Communications; Vol. 56; No. 32; 4440-4443; 10.1039/d0cc00791a
• Jiang, Kun; Huang, Yufeng; et al. (2020) Effects of Surface Roughness on the Electrochemical Reduction of CO₂ over Cu; ACS Energy Letters; Vol. 5; No. 4; 1206-1214; 10.1021/acsenergylett.0c00482
• Richter, Matthias H.; Lublow, Michael; et al. (2020) Genesis and Propagation of Fractal Structures During Photoelectrochemical Etching of n-Silicon; ACS Applied Materials & Interfaces; Vol. 12; No. 14; 17018-17028; 10.1021/acsami.9b22900
• DuChene, Joseph S.; Tagliabue, Giulia; et al. (2020) Optical Excitation of a Nanoparticle Cu/p-NiO Photocathode Improves Reaction Selectivity for CO₂ Reduction in Aqueous Electrolytes; Nano Letters; Vol. 20; No. 4; 2348-2358; 10.1021/acs.nanolett.9b04895
• Gauthier, Joseph A.; Chen, Leanne D.; et al. (2020) Implications of the fractional charge of hydroxide at the electrochemical interface; Physical Chemistry Chemical Physics; Vol. 22; No. 13; 6964-6969; 10.1039/c9cp05952k
• Yao, Yonggang; Huang, Zhennan; et al. (2020) High-throughput, combinatorial synthesis of multimetallic nanoclusters; Proceedings of the National Academy of Sciences of the United States of America; Vol. 117; No. 12; 6316-6322; PMCID PMC7104385; 10.1073/pnas.1903721117
• Rohr, Brian; Stein, Helge S.; et al. (2020) Benchmarking the Acceleration of Materials Discovery by Sequential Learning; Chemical Science; Vol. 11; No. 10; 2696-2706; 10.1039/c9sc05999g
• Welch, Alex J.; Dunn, Emily; et al. (2020) Bicarbonate or Carbonate Processes for Coupling Carbon Dioxide Capture and Electrochemical Conversion; ACS Energy Letters; Vol. 5; No. 3; 940-945; 10.1021/acsenergylett.0c00234
• Jeong, Hyung Mo; Kwon, Youngkook; et al. (2020) Atomic-Scale Spacing between Copper Facets for the Electrochemical Reduction of Carbon Dioxide; Advanced Energy Materials; Vol. 10; No. 10; Art. No. 1903423; 10.1002/aenm.201903423
• Spitler, Mark T.; Modestino, Miguel A.; et al. (2020) Practical challenges in the development of photoelectrochemical solar fuels production; Sustainable Energy and Fuels; Vol. 4; No. 3; 985-995; 10.1039/c9se00869a
• Nam, Dae-Hyun; De Luna, Phil; et al. (2020) Molecular enhancement of heterogeneous CO₂ reduction; Nature Materials; Vol. 19; No. 3; 266-276; 10.1038/s41563-020-0610-2
• Zhou, Lan; Shinde, Aniketa; et al. (2020) Combinatorial screening yields discovery of 29 metal oxide photoanodes for solar fuel generation; Journal of Materials Chemistry A; Vol. 8; No. 8; 4239-4243; 10.1039/c9ta13829c
• Cheng, Wen-Hui; Richter, Matthias H.; et al. (2020) CO₂ Reduction to CO with 19% Efficiency in a Solar-Driven Gas Diffusion Electrode Flow Cell under Outdoor Solar Illumination; ACS Energy Letters; Vol. 5; No. 2; 470-476; 10.1021/acsenergylett.9b02576
• Ge, Lei; Yuan, Hao; et al. (2020) Predicted Optimal Bifunctional Electrocatalysts for the Hydrogen Evolution Reaction and the Oxygen Evolution Reaction Using Chalcogenide Heterostructures Based on Machine Learning Analysis of in Silico Quantum Mechanics Based High Throughput Screening; Journal of Physical Chemistry Letters; Vol. 11; No. 3; 869-876; 10.1021/acs.jpclett.9b03875
• Li, Fengwang; Thevenon, Arnaud; et al. (2020) Molecular tuning of CO₂-to-ethylene conversion; Nature; Vol. 577; No. 7791; 509-513; 10.1038/s41586-019-1782-2
• Baricuatro, Jack H.; Kim, Youn-Geun; et al. (2020) Selective conversion of CO into ethanol on Cu(511) surface reconstructed from Cu(pc): Operando studies by electrochemical scanning tunneling microscopy, mass spectrometry, quartz crystal nanobalance, and infrared spectroscopy; Journal of Electroanalytical Chemistry; Vol. 857; Art. No. 113704; 10.1016/j.jelechem.2019.113704
• Yalamanchili, Sisir; Verlage, Erik; et al. (2020) High Broadband Light Transmission for Solar Fuels Production Using Dielectric Optical Waveguides in TiO₂ Nanocone Arrays; Nano Letters; Vol. 20; No. 1; 502-508; 10.1021/acs.nanolett.9b04225
• Kempler, Paul A.; Fu, Harold J.; et al. (2020) Spontaneous Formation of >90% Optically Transmissive, Electrochemically Active CoP Films for Photoelectrochemical Hydrogen Evolution; Journal of Physical Chemistry Letters; Vol. 11; No. 1; 14-20; 10.1021/acs.jpclett.9b02926
• Lai, Yungchieh; Jones, Ryan J. R.; et al. (2019) The Sensitivity of Cu for Electrochemical Carbon Dioxide Reduction to Hydrocarbons as Revealed by High Throughput Experiments; Journal of Materials Chemistry A; Vol. 7; No. 47; 26785-26790; 10.1039/c9ta10111j
• Went, Cora M.; Wong, Joeson; et al. (2019) A new metal transfer process for van der Waals contacts to vertical Schottky-junction transition metal dichalcogenide photovoltaics; Science Advances; Vol. 5; No. 12; Art. No. eaax6061; PMCID PMC6924982; 10.1126/sciadv.aax6061
• Gauthier, Joseph A.; Fields, Meredith; et al. (2019) Facile Electron Transfer to CO₂ during Adsorption at the Metal | Solution Interface; Journal of Physical Chemistry C; Vol. 123; No. 48; 29278-29283; 10.1021/acs.jpcc.9b10205
• Zhou, Jin-Jian and Bernardi, Marco (2019) Predicting Charge Transport in the Presence of Polarons: The Beyond-Quasiparticle Regime in SrTiO₃; Physical Review Research; Vol. 1; No. 3; Art. No. 033138; 10.1103/PhysRevResearch.1.033138
• Thevenon, Arnaud; Rosas-Hernández, Alonso; et al. (2019) In-situ Nanostructuring and Stabilization of Polycrystalline Copper by an Organic Salt Additive Promotes Electrocatalytic CO₂ Reduction to Ethylene; Angewandte Chemie International Edition; Vol. 58; No. 47; 16952-16958; 10.1002/anie.201907935
• Noh, Juhwan; Kim, Sungwon; et al. (2019) Unveiling new stable manganese based photoanode materials via theoretical high-throughput screening and experiments; Chemical Communications; Vol. 55; No. 89; 13418-13421; 10.1039/c9cc06736a
• Stein, Helge S. and Gregoire, John M. (2019) Progress and prospects for accelerating materials science with automated and autonomous workflows; Chemical Science; Vol. 10; No. 42; 9640-9649; PMCID PMC7020936; 10.1039/c9sc03766g
• Yang, Hao; Cheng, Tao; et al. (2019) Design of a One-Dimensional Stacked Spin Peierls System with Room-Temperature Switching from Quantum Mechanical Predictions; Journal of Physical Chemistry Letters; Vol. 10; No. 21; 6432-6437; 10.1021/acs.jpclett.9b02219
• Noh, Juhwan; Kim, Jaehoon; et al. (2019) Inverse Design of Solid-State Materials via a Continuous Representation; Matter; Vol. 1; No. 5; 1370-1384; 10.1016/j.matt.2019.08.017
• Sullivan, Ian; Han, Lihao; et al. (2019) A Hybrid Catalyst-Bonded Membrane Device for Electrochemical Carbon Monoxide Reduction at Different Relative Humidities; ACS Sustainable Chemistry & Engineering; Vol. 7; No. 20; 16964-16970; 10.1021/acssuschemeng.9b04959
• Naserifar, Saber; Oppenheim, Julius J.; et al. (2019) Accurate non-bonded potentials based on periodic quantum mechanics calculations for use in molecular simulations of materials and systems; Journal of Chemical Physics; Vol. 151; No. 15; Art. No. 154111; 10.1063/1.5113811
• Naserifar, Saber and Goddard, William A., III (2019) Anomalies in Supercooled Water at ~230 K Arise from a 1D Polymer to 2D Network Topological Transformation; Journal of Physical Chemistry Letters; Vol. 10; No. 20; 6267-6273; 10.1021/acs.jpclett.9b02443
• Lai, Yungchieh; Jones, Ryan J. R.; et al. (2019) Scanning electrochemical flow cell with online mass spectroscopy for accelerated screening of carbon dioxide reduction electrocatalysts; ACS Combinatorial Science; Vol. 21; No. 10; 692-704; 10.1021/acscombsci.9b00130
• Naserifar, Saber and Goddard, William A., III (2019) Reply to Head-Gordon and Paesani: Liquid water, a branched polymer with ∼100-fs short-lived heterogeneous hydrogen bonds; Proceedings of the National Academy of Sciences of the United States of America; Vol. 116; No. 41; 20257-20258; PMCID PMC6789962; 10.1073/pnas.1913076116
• Gregoire, John M. (2019) Unexpected Transitions Yield Interesting Science and High-Performance Materials; Matter; Vol. 1; No. 4; 790-791; 10.1016/j.matt.2019.09.006
• Cheng, Tao; Jaramillo-Botero, Andres; et al. (2019) First principles-based multiscale atomistic methods for input into first principles nonequilibrium transport across interfaces; Proceedings of the National Academy of Sciences of the United States of America; Vol. 116; No. 37; 18193-18201; PMCID PMC6744898; 10.1073/pnas.1800035115
• Yalamanchili, Sisir; Kempler, Paul A.; et al. (2019) Integration of electrocatalysts with silicon microcone arrays for minimization of optical and overpotential losses during sunlight-driven hydrogen evolution; Sustainable Energy and Fuels; Vol. 3; No. 9; 2227-2236; 10.1039/c9se00294d
• Shen, Sheng; Zhang, Xiaoyue; et al. (2019) Optimization of the nucleation-site density for the electrodeposition of cadmium sulfide on indium-tin-oxide; Electrochimica Acta; Vol. 316; 105-112; 10.1016/j.electacta.2019.05.120
• Gomes, Carla and Gregoire, John (2019) Computational sustainability: computing for a better world and a sustainable future; Communications of the ACM; Vol. 62; No. 9; 56-65; 10.1145/3339399
• Jouny, Matthew; Lv, Jing-Jing; et al. (2019) Formation of carbon–nitrogen bonds in carbon monoxide electrolysis; Nature Chemistry; Vol. 11; No. 9; 846-851; 10.1038/s41557-019-0312-z
• Lin, Meng; Han, Lihao; et al. (2019) An Experimental- and Simulation-Based Evaluation on the CO_2 Utilization Efficiency in Aqueous-based Electrochemical CO_2 Reduction Reactors with Ion-Selective Membranes; ACS Applied Energy Materials; Vol. 2; No. 8; 5843-5850; 10.1021/acsaem.9b00986
• Nunez, Paul; Richter, Matthias H.; et al. (2019) Characterization of Electronic Transport through Amorphous TiO_2 Produced by Atomic-Layer Deposition; Journal of Physical Chemistry C; Vol. 123; No. 33; 20116-20129; 10.1021/acs.jpcc.9b04434
• Lee, Sebastian J. R.; Ding, Feizhi; et al. (2019) Analytical Gradients for Projection-Based Wavefunction-in-DFT Embedding; Journal of Chemical Physics; Vol. 151; No. 6; Art. No. 064112; 10.1063/1.5109882
• Haber, Joel; Stein, Helge S.; et al. (2019) Functional mapping reveals mechanistic clusters for OER catalysis across (Cu-Mn-Ta-Co-Sn-Fe)Ox composition and pH space
• Labinger, Jay Alan (2019) History (and pre-history) of the discovery and chemistry of the noble gases
• Newhouse, Paul; Guevarra, Dan; et al. (2019) Multi-modal optimization of bismuth vanadate photoanodes via combinatorial alloying and hydrogen processing
• Zhang, Haochen; Chang, Xiaoxia; et al. (2019) Computational and experimental demonstrations of one-pot tandem catalysis for electrochemical carbon dioxide reduction to methane; Nature Communications; Vol. 10; Art. No. 3340; PMCID PMC6659690; 10.1038/s41467-019-11292-9
• Soedarmadji, Edwin; Stein, Helge S.; et al. (2019) Tracking materials science data lineage to manage millions of materials experiments and analyses; npj Computational Materials; Vol. 5; Art. No. 79; 10.1038/s41524-019-0216-x
• Chen, Yalu; Huang, Yufeng; et al. (2019) Identifying Active Sites for CO₂ Reduction on Dealloyed Gold Surfaces by Combining Machine Learning with Multiscale Simulations; Journal of the American Chemical Society; Vol. 141; No. 29; 11651-11657; 10.1021/jacs.9b04956
• Ament, Sebastian E.; Stein, Helge S.; et al. (2019) Multi-component background learning automates signal detection for spectroscopic data; npj Computational Materials; Vol. 5; Art. No. 77; 10.1038/s41524-019-0213-0
• Stein, Helge S.; Guevarra, Dan; et al. (2019) Functional mapping reveals mechanistic clusters for OER catalysis across (Cu–Mn–Ta–Co–Sn–Fe)O_x composition and pH space; Materials Horizons; Vol. 6; No. 6; 1251-1258; 10.1039/c8mh01641k
• Gomes, Carla P.; Selman, Bart; et al. (2019) Artificial intelligence for materials discovery; MRS Bulletin; Vol. 44; No. 7; 538-544; 10.1557/mrs.2019.158
• Jermyn, Adam S.; Tagliabue, Giulia; et al. (2019) Transport of hot carriers in plasmonic nanostructures; Physical Review Materials; Vol. 3; No. 7; Art. No. 075201; 10.1103/PhysRevMaterials.3.075201
• Gomes, Carla P.; Bai, Junwen; et al. (2019) CRYSTAL: a multi-agent AI system for automated mapping of materials’ crystal structures; MRS Communications; Vol. 9; No. 2; 600-608; 10.1557/mrc.2019.50
• Li, Mufan; Duanmu, Kaining; et al. (2019) Single-atom tailoring of platinum nanocatalysts for high-performance multifunctional electrocatalysis; Nature Catalysis; Vol. 2; No. 6; 495-503; 10.1038/s41929-019-0279-6
• Yao, Yunxi; Shushkov, Philip; et al. (2019) Direct dioxygen evolution in collisions of carbon dioxide with surfaces; Nature Communications; Vol. 10; Art. No. 2294; PMCID PMC6534623; 10.1038/s41467-019-10342-6
• Zhou, Jin-Jian and Bernardi, Marco (2019) Unveiling the Origin of Charge Transport in SrTiO_3 Beyond the Quasiparticle Regime; 10.48550/arXiv.1905.03414
• Buckley, Aya K.; Lee, Michelle; et al. (2019) Electrocatalysis at Organic–Metal Interfaces: Identification of Structure–Reactivity Relationships for CO₂ Reduction at Modified Cu Surfaces; Journal of the American Chemical Society; Vol. 141; No. 18; 7355-7364; 10.1021/jacs.8b13655
• Borgwardt, Mario; Omelchenko, Stefan T.; et al. (2019) Femtosecond time-resolved two-photon photoemission studies of ultrafast carrier relaxation in Cu_2O photoelectrodes; Nature Communications; Vol. 10; Art. No. 2106; PMCID PMC6506537; 10.1038/s41467-019-10143-x
• Qian, Jin; Ye, Yifan; et al. (2019) Initial steps in forming the electrode electrolyte interface: H_2O adsorption and complex formation on the Ag(111) surface from combining Quantum Mechanics calculations and X-ray Photoelectron Spectroscopy; Journal of the American Chemical Society; Vol. 141; No. 17; 6946-6954; 10.1021/jacs.8b13672
• Jiang, Hongyan; Kammler, Marvin; et al. (2019) Imaging covalent bond formation by H atom scattering from graphene; Science; Vol. 364; No. 6438; 379-382; 10.1126/science.aaw6378
• Ye, Yifan; Yang, Hao; et al. (2019) Dramatic differences in carbon dioxide adsorption and initial steps of reduction between silver and copper; Nature Communications; Vol. 10; Art. No. 1875; PMCID PMC6478877; 10.1038/s41467-019-09846-y
• Cheng, Tao; Fortunelli, Alessandro; et al. (2019) Reaction intermediates during operando electrocatalysis identified from full solvent quantum mechanics molecular dynamics; Proceedings of the National Academy of Sciences of the United States of America; Vol. 116; No. 16; 7718-7722; PMCID PMC6475413; 10.1073/pnas.1821709116
• Ho, Alec; Zhou, Xinghao; et al. (2019) Decoupling H_2(g) and O_2(g) Production in Water Splitting by a Solar-Driven V^(3+/2)+(aq,H_2SO_4)|KOH(aq) Cell; ACS Energy Letters; Vol. 4; No. 4; 968-976; 10.1021/acsenergylett.9b00278
• Moreno-Hernandez, Ivan A.; Brunschwig, Bruce S.; et al. (2019) Crystalline nickel, cobalt, and manganese antimonates as electrocatalysts for the chlorine evolution reaction; Energy and Environmental Science; Vol. 12; No. 4; 1241-1248; 10.1039/c8ee03676d
• Stein, Helge S.; Soedarmadji, Edwin; et al. (2019) Synthesis, optical imaging, and absorption spectroscopy data for 179072 metal oxides; Scientific Data; Vol. 6; Art. No. 9; PMCID PMC6437643; 10.1038/s41597-019-0019-4
• Umehara, Mitsutaro; Stein, Helge S.; et al. (2019) Analyzing machine learning models to accelerate generation of fundamental materials insights; npj Computational Materials; Vol. 5; Art. No. 34; 10.1038/s41524-019-0172-5
• Manby, Frederick R.; Miller, Thomas F., III; et al. (2019) entos: A Quantum Molecular Simulation Package; 10.26434/chemrxiv.7762646.v2
• Choi, Chungseok; Cheng, Tao; et al. (2019) A Highly Active Star Decahedron Cu Nanocatalyst for Hydrocarbon Production at Low Overpotentials; Advanced Materials; Vol. 31; No. 6; Art. No. 1805405; 10.1002/adma.201805405
• Naserifar, Saber and Goddard, William A., III (2019) Liquid water is a dynamic polydisperse branched polymer; Proceedings of the National Academy of Sciences of the United States of America; Vol. 116; No. 6; 1998-2003; PMCID PMC6369747; 10.1073/pnas.1817383116
• Huang, Yufeng; Kang, Jun; et al. (2019) Density functional theory based neural network force fields from energy decompositions; Physical Review B; Vol. 99; No. 6; Art. No. 064103; 10.1103/physrevb.99.064103
• Welch, Alex J.; DuChene, Joseph S.; et al. (2019) Nanoporous Gold as a Highly Selective and Active Carbon Dioxide Reduction Catalyst; ACS Applied Energy Materials; Vol. 2; No. 1; 164-170; 10.1021/acsaem.8b01570
• Singh, Arunima K.; Montoya, Joseph H.; et al. (2019) Robust and synthesizable photocatalysts for CO₂ reduction: a data-driven materials discovery; Nature Communications; Vol. 10; Art. No. 443; PMCID PMC6347635; 10.1038/s41467-019-08356-1
• Newhouse, P. F.; Guevarra, D.; et al. (2019) Multi-modal optimization of bismuth vanadate photoanodes via combinatorial alloying and hydrogen processing; Chemical Communications; Vol. 55; No. 4; 489-492; 10.1039/c8cc07156j
• Higgins, Drew; Hahn, Christopher; et al. (2019) Gas-Diffusion Electrodes for Carbon-Dioxide Reduction: A New Paradigm; ACS Energy Letters; Vol. 4; No. 1; 317-324; 10.1021/acsenergylett.8b02035
• Stein, Helge S.; Guevarra, Dan; et al. (2019) Machine learning of optical properties of materials - predicting spectra from images and images from spectra; Chemical Science; Vol. 10; No. 1; 47-55; PMCID PMC6334722; 10.1039/c8sc03077d
• Alberi, Kirstin and Gregoire, John (2019) The 2019 materials by design roadmap; Journal of Physics D: Applied Physics; Vol. 52; No. 1; Art. No. 013001; 10.1088/1361-6463/aad926
• Finke, Cody E.; Omelchenko, Stefan T.; et al. (2019) Enhancing the activity of oxygen-evolution and chlorine-evolution electrocatalysts by atomic layer deposition of TiO₂; Energy and Environmental Science; Vol. 12; No. 1; 358-365; PMCID PMC7680952; 10.1039/c8ee02351d
• Liu, Guiji; Eichhorn, Johanna; et al. (2019) Interface engineering for light-driven water oxidation: unravelling the passivating and catalytic mechanism in BiVO₄ overlayers; Sustainable Energy and Fuels; Vol. 3; No. 1; 127-135; 10.1039/C8SE00473K
• Huang, Yufeng; Chen, Yalu; et al. (2018) Identification of the Selective Sites for Electrochemical Reduction of CO to C_(2+) Products on Copper Nanoparticles by Combining Reactive Force Fields, Density Functional Theory, and Machine Learning; ACS Energy Letters; Vol. 3; No. 12; 2983-2988; 10.1021/acsenergylett.8b01933
• Zhou, Lan; Shinde, Aniketa; et al. (2018) Rutile alloys in the Mn-Sb-O system stabilize Mn^(+3) to enable oxygen evolution in strong acid; ACS Catalysis; Vol. 8; No. 12; 10938-10948; 10.1021/acscatal.8b02689
• Huang, Yufeng; Nielsen, Robert J.; et al. (2018) The Reaction Mechanism for the Hydrogen Evolution Reaction on the Basal Plane Sulfur Vacancy Site of MoS_2 Using Grand Canonical Potential Kinetics; Journal of the American Chemical Society; Vol. 140; No. 48; 16773-16782; 10.1021/jacs.8b10016
• Shen, Heping; Omelchenko, Stefan T.; et al. (2018) In situ recombination junction between p-Si and TiO_2 enables high-efficiency monolithic perovskite/Si tandem cells; Science Advances; Vol. 4; No. 12; Art. No. eaau9711; PMCID PMC6294601; 10.1126/sciadv.aau9711
• Jones, Ryan J. R.; Wang, Yu; et al. (2018) Reactor design and integration with product detection to accelerate screening of electrocatalysts for carbon dioxide reduction; Review of Scientific Instruments; Vol. 89; No. 12; Art. No. 124102; 10.1063/1.5049704
• Zhou, Jin-Jian; Hellman, Olle; et al. (2018) Electron-Phonon Scattering in the Presence of Soft Modes and Electron Mobility in SrTiO_3 Perovskite from First Principles; Physical Review Letters; Vol. 121; No. 22; Art. No. 226603; 10.1103/physrevlett.121.226603
• Tsang, Chu F.; Javier, Alnald C.; et al. (2018) Potential-Dependent Adsorption of CO and Its Low-Overpotential Reduction to CH_3CH_2OH on Cu(511) Surface Reconstructed from Cu(pc): Operando Studies by Seriatim STM-EQCN-DEMS; Journal of the Electrochemical Society; Vol. 165; No. 15; J3350-J3354; 10.1149/2.0451815jes
• Zhou, Lan; Shinde, Aniketa; et al. (2018) Bi-containing n-FeWO_4 Thin Films Provide the Largest Photovoltage and Highest Stability for a sub-2 eV Band Gap Photoanode; ACS Energy Letters; Vol. 3; No. 11; 2769-2774; 10.1021/acsenergylett.8b01514
• Zhou, Lan; Shinde, Aniketa; et al. (2018) Balancing Surface Passivation and Catalysis with Integrated BiVO_4/(Fe-Ce)O_x Photoanodes in pH 9 Borate Electrolyte; ACS Applied Energy Materials; Vol. 1; No. 10; 5766-5771; 10.1021/acsaem.8b01377
• Welborn, Matthew; Manby, Frederick R.; et al. (2018) Even-handed subsystem selection in projection-based embedding; Journal of Chemical Physics; Vol. 149; No. 14; Art. No. 144101; 10.1063/1.5050533
• Ardo, Shane and Saadi, Fadl H. (2018) Pathways to electrochemical solar-hydrogen technologies; Energy and Environmental Science; Vol. 11; No. 10; 2768-2783; 10.1039/c7ee03639f
• Wang, Lu; Goddard, William A., III; et al. (2018) In Silico Optimization of Organic-Inorganic Hybrid Perovskites for Photocatalytic Hydrogen Evolution Reaction in Acidic Solution; Journal of Physical Chemistry C; Vol. 122; No. 36; 20918-20922; 10.1021/acs.jpcc.8b07380
• Newhouse, P. F.; Guevarra, D.; et al. (2018) Combinatorial Alloying Improves Bismuth Vanadate Photoanodes via Reduced Monoclinic Distortion; Energy and Environmental Science; Vol. 11; No. 9; 2444-2457; 10.1039/c8ee00179k
• Moreno-Hernandez, Ivan A.; Brunschwig, Bruce S.; et al. (2018) Tin Oxide as a Protective Heterojunction with Silicon for Efficient Photoelectrochemical Water Oxidation in Strongly Acidic or Alkaline Electrolytes; Advanced Energy Materials; Vol. 8; No. 24; Art. No. 1801155; 10.1002/aenm.201801155
• Tagliabue, Giulia; Jermyn, Adam S.; et al. (2018) Quantifying the role of surface plasmon excitation and hot carrier transport in plasmonic devices; Nature Communications; Vol. 9; Art. No. 3394; PMCID PMC6107582; 10.1038/s41467-018-05968-x
• Francis, Sonja A.; Velazquez, Jesus M.; et al. (2018) Reduction of aqueous CO_2 to 1-Propanol at MoS_2 electrodes; Chemistry of Materials; Vol. 30; No. 15; 4902-4908; 10.1021/acs.chemmater.7b04428
• Zhou, Xinghao and Xiang, Chengxiang (2018) Comparative Analysis of Solar-to-Fuel Conversion Efficiency: A Direct, One-Step Electrochemical CO_2 Reduction Reactor versus a Two-Step, Cascade Electrochemical CO_2 Reduction Reactor; ACS Energy Letters; Vol. 3; No. 8; 1892-1897; 10.1021/acsenergylett.8b01077
• Cheng, Wen-Hui; Richter, Matthias H.; et al. (2018) Monolithic Photoelectrochemical Device for 19% Direct Water Splitting; ACS Energy Letters; Vol. 3; No. 8; 1795-1800; 10.1021/acsenergylett.8b00920
• Brinkert, Katharina; Richter, Matthias H.; et al. (2018) Advancing semiconductor–electrocatalyst systems: application of surface transformation films and nanosphere lithography; Faraday Discussions; Vol. 208; 523-535; 10.1039/c8fd00003d
• Lum, Yanwei; Cheng, Tao; et al. (2018) Electrochemical CO reduction builds solvent water into oxygenate products; Journal of the American Chemical Society; Vol. 140; No. 30; 9337-9340; 10.1021/jacs.8b03986
• Swabeck, Joseph K.; Fischer, Stefan; et al. (2018) Broadband sensitization of lanthanide emission with indium phosphide quantum dots for visible to NIR downshifting; Journal of the American Chemical Society; Vol. 140; No. 29; 9120-9126; 10.1021/jacs.8b02612
• Brinkert, Katharina; Richter, Matthias H.; et al. (2018) Efficient solar hydrogen generation in microgravity environment; Nature Communications; Vol. 9; Art. No. 2527; PMCID PMC6039473; 10.1038/s41467-018-04844-y
• Clark, Ezra L.; Resasco, Joaquin; et al. (2018) Data Acquisition Protocols and Reporting Standards for Studies of the Electrochemical Reduction of Carbon Dioxide; ACS Catalysis; Vol. 8; No. 7; 6560-6570; 10.1021/acscatal.8b01340
• Kim, Youn-Geun; Baricuatro, Jack H.; et al. (2018) Surface Reconstruction of Polycrystalline Cu Electrodes in Aqueous KHCO_3 Electrolyte at Potentials in the Early Stages of CO_2 Reduction; Electrocatalysis; Vol. 9; No. 4; 526-530; 10.1007/s12678-018-0469-z
• Cheng, Tao; Wang, Lu; et al. (2018) Explanation of Dramatic pH-Dependence of Hydrogen Binding on Noble Metal Electrode: Greatly Weakened Water Adsorption at High pH; Journal of the American Chemical Society; Vol. 140; No. 25; 7787-7790; 10.1021/jacs.8b04006
• Zhou, Jin-Jian; Hellman, Olle; et al. (2018) Temperature Dependent Electron-Phonon Scattering and Electron Mobility in SrTiO_3 Perovskite from First Principles; 10.48550/arXiv.1806.05775
• Bai, Junwen; Ament, Sebastian; et al. (2018) An Efficient Relaxed Projection Method for Constrained Non-negative Matrix Factorization with Application to the Phase-Mapping Problem in Materials Science; ISBN 978-3-319-93030-5; Integration of Constraint Programming, Artificial Intelligence, and Operations Research; Springer: Cham, Switzerland; 52-62; 10.1007/978-3-319-93031-2_4
• Landers, Alan T.; Fields, Meredith; et al. (2018) The Predominance of Hydrogen Evolution on Transition Metal Sulfides and Phosphides under CO_2 Reduction Conditions: An Experimental and Theoretical Study; ACS Energy Letters; Vol. 3; No. 6; 1450-1457; 10.1021/acsenergylett.8b00237
• Wang, Zhijiang; Wu, Lina; et al. (2018) Surface Ligand Promotion of Carbon Dioxide Reduction through Stabilizing Chemisorbed Reactive Intermediates; Journal of Physical Chemistry Letters; Vol. 9; No. 11; 3057-3061; 10.1021/acs.jpclett.8b00959
• Shin, Hyeyoung; Xiao, Hai; et al. (2018) In silico discovery of new dopants for Fe-doped Ni oxyhydroxide (Ni_(1-x)Fe_xOOH) catalysts for oxygen evolution reaction; Journal of the American Chemical Society; Vol. 140; No. 22; 6745-6748; 10.1021/jacs.8b02225
• Xiao, Hai; Shin, Hyeyoung; et al. (2018) Synergy between Fe and Ni in the optimal performance of (Ni,Fe)OOH catalysts for the oxygen evolution reaction; Proceedings of the National Academy of Sciences of the United States of America; Vol. 115; No. 23; 5872-5877; PMCID PMC6003342; 10.1073/pnas.1722034115
• Baricuatro, Jack H.; Kim, Youn-Geun; et al. (2018) Seriatim ECSTM-ECPMIRS of the adsorption of carbon monoxide on Cu(100) in alkaline solution at CO_2-reduction potentials; Electrochemistry Communications; Vol. 91; 1-4; 10.1016/j.elecom.2018.04.016
• Banerjee, Sriya; Wu, Fei; et al. (2018) Amorphous Cu_(2-δ)O as Passivation Layer for Ultra Long Stability of Copper Oxide Nanowires in Photoelectrochemical Environments; Journal of the Electrochemical Society; Vol. 165; No. 7; H417-H424; 10.1149/2.1131807jes
• Kafaie Shirmanesh, Ghazaleh; Sokhoyan, Ruzan; et al. (2018) Dual-Gated Active Metasurface at 1550 nm with Wide (>300°) Phase Tunability; Nano Letters; Vol. 18; No. 5; 2957-2963; 10.1021/acs.nanolett.8b00351
• Suram, Santosh K.; Zhou, Lan; et al. (2018) Alkaline-stable nickel manganese oxides with ideal band gap for solar fuel photoanodes; Chemical Communications; Vol. 54; No. 36; 4625-4628; 10.1039/c7cc08002f
• Sun, Ke; Ritzert, Nicole L.; et al. (2018) Performance and failure modes of Si anodes patterned with thin-film Ni catalyst islands for water oxidation; Sustainable Energy and Fuels; Vol. 2; No. 5; 983-998; 10.1039/C7SE00583K
• Cheng, Zhiqiang; Zhao, Shengzhe; et al. (2018) A novel preparation method for ZnO/γ-Al_2O_3 nanofibers with enhanced absorbability and improved photocatalytic water-treatment performance by Ag nanoparticles; Nanoscale; Vol. 10; No. 15; 6892-6899; 10.1039/C7NR09683F
• Han, Lihao; Zhou, Wuzong; et al. (2018) High Rate Electrochemical Reduction of Carbon Monoxide to Ethylene using Cu-Nanoparticle-Based Gas Diffusion Electrodes; ACS Energy Letters; Vol. 3; No. 4; 855-860; 10.1021/acsenergylett.8b00164
• DuChene, Joseph S.; Tagliabue, Giulia; et al. (2018) Hot Hole Collection and Photoelectrochemical CO_2 Reduction with Plasmonic Au/p-GaN Photocathodes; Nano Letters; Vol. 18; No. 4; 2545-2550; 10.1021/acs.nanolett.8b00241
• Chapovetsky, Alon; Welborn, Matthew; et al. (2018) Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO₂ Reduction; ACS Central Science; Vol. 4; No. 3; 397-404; PMCID PMC5879468; 10.1021/acscentsci.7b00607
• Lee, Nien-En; Zhou, Jin-Jian; et al. (2018) Charge transport in organic molecular semiconductors from first principles: The bandlike hole mobility in a naphthalene crystal; Physical Review B; Vol. 97; No. 11; Art. No. 115203; 10.1103/PhysRevB.97.115203
• Kempler, Paul A.; Gonzalez, Miguel A.; et al. (2018) Hydrogen Evolution with Minimal Parasitic Light Absorption by Dense Co–P Catalyst Films on Structured p-Si Photocathodes; ACS Energy Letters; Vol. 3; No. 3; 612-617; 10.1021/acsenergylett.8b00034
• Gregoire, John (2018) Accelerated experimental materials discovery through integration with theory and artificial intelligence
• Saadi, Fadl H.; Lewis, Nathan S.; et al. (2018) Correction: Relative costs of transporting electrical and chemical energy; Energy and Environmental Science; Vol. 11; No. 3; 714-714; 10.1039/C8EE90006J
• Haber, Joel; Guevarra, Dan; et al. (2018) Development of solar fuels photoanodes through combinatorial integration of multifunctional Fe-Ce oxide coatings on BiVO4 as a function of coating composition, loading, and electrolyte
• Haber, Joel; Guevarra, Dan; et al. (2018) High throughput, multi-pH evaluation of earth-abundant pseudo-quaternary metal oxide catalysts for the oxygen evolution reaction
• Lewis, Nathan S. (2018) Sunlight-driven hydrogen formation by membrane-supported photoelectrochemical water splitting
• Hashiba, Hiroshi; Weng, Lien-Chun; et al. (2018) Effects of Electrolyte Buffer Capacity on Surface Reactant Species and Reaction Rate of CO_2 in Electrochemical CO_2 Reduction; Journal of Physical Chemistry C; Vol. 122; No. 7; 3719-3726; 10.1021/acs.jpcc.7b11316
• Papadakis, Georgia T.; Narang, Prineha; et al. (2018) Ultralight Angstrom-Scale Optimal Optical Reflectors; ACS Photonics; Vol. 5; No. 2; 384-389; 10.1021/acsphotonics.7b00609
• Wang, Lu; Xiao, Hai; et al. (2018) Pb-activated Amine-assisted Photocatalytic Hydrogen Evolution Reaction on Organic-Inorganic Perovskites; Journal of the American Chemical Society; Vol. 140; No. 6; 1994-1997; 10.1021/jacs.7b12028
• Zhang, Haochen; Goddard, William A., III; et al. (2018) The importance of grand-canonical quantum mechanical methods to describe the effect of electrode potential on the stability of intermediates involved in both electrochemical CO_2 reduction and hydrogen evolution; Physical Chemistry Chemical Physics; Vol. 20; No. 4; 2549-2557; 10.1039/c7cp08153g
• Suram, Santosh K.; Fackler, Sean W.; et al. (2018) Combinatorial Discovery of Lanthanum-Tantalum Oxynitride Solar Light Absorbers with Dilute Nitrogen for Solar Fuels Applications; ACS Combinatorial Science; Vol. 20; No. 1; 26-34; 10.1021/acscombsci.7b00143
• Soniat, Marielle; Tesfaye, Meron; et al. (2018) Predictive simulation of non-steady-state transport of gases through rubbery polymer membranes; Polymer; Vol. 134; 125-142; 10.1016/j.polymer.2017.11.055
• Lewerenz, Hans-Joachim and Sharp, Ian D. (2018) Concepts of Photoelectrochemical Energy Conversion and Fuel Generation; ISBN 978-1-78262-555-1; Integrated Solar Fuel Generators; Royal Society of Chemistry: Cambridge; 3-42; 10.1039/9781788010313-00001
• McCrory, Charles C. L.; Jung, Suho; et al. (2018) Evaluating Electrocatalysts for Solar Water-splitting Reactions; ISBN 978-1-78262-555-1; Integrated Solar Fuel Generators; Royal Society of Chemistry: Cambridge; 154-181; 10.1039/9781788010313-00154
• Gregoire, John M.; Boyd, David A.; et al. (2018) High Throughput Experimentation for the Discovery of Water Splitting Materials; ISBN 978-1-78262-555-1; Integrated Solar Fuel Generators; Royal Society of Chemistry: Cambridge; 307-340; 10.1039/9781788010313-00305
• Xiang, Chengxiang; Walczak, Karl; et al. (2018) Prototyping Development of Integrated Solar-driven Water-splitting Cells; ISBN 978-1-78262-555-1; Integrated Solar Fuel Generators; Royal Society of Chemistry: Cambridge; 389-453; 10.1039/9781788010313-00387
• Newhouse, Paul F.; Reyes-Lillo, Sebastian E.; et al. (2017) Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode; Chemistry of Materials; Vol. 29; No. 23; 10027-10036; 10.1021/acs.chemmater.7b03591
• Singh, Arunima K.; Zhou, Lan; et al. (2017) Electrochemical Stability of Metastable Materials; Chemistry of Materials; Vol. 29; No. 23; 10159-10167; 10.1021/acs.chemmater.7b03980
• Shing, Amanda M.; Tolstova, Yulia; et al. (2017) Effects of surface condition on the work function and valence-band position of ZnSnN_2; Applied Physics A: Materials Science and Processing; Vol. 123; No. 12; Art. No. 735; 10.1007/s00339-017-1341-3
• Kirk, Charlotte; Chen, Leanne D.; et al. (2017) Theoretical Investigations of the Electrochemical Reduction of CO on Single Metal Atoms Embedded in Graphene; ACS Central Science; Vol. 3; No. 12; 1286-1293; PMCID PMC5746853; 10.1021/acscentsci.7b00442
• Paul, J. T.; Singh, A. K.; et al. (2017) Computational methods for 2D materials: discovery, property characterization, and application design; Journal of Physics: Condensed Matter; Vol. 29; No. 47; Art. No. 473001; 10.1088/1361-648X/aa9305
• Jiang, Jingjing; Huang, Zhuangqun; et al. (2017) Nanoelectrical and Nanoelectrochemical Imaging of Pt/p-Si and Pt/p+-Si Electrodes; ChemSusChem; Vol. 10; No. 22; 4657-4663; 10.1002/cssc.201700893
• Lu, Yu-Jung; Sokhoyan, Ruzan; et al. (2017) Dynamically controlled Purcell enhancement of visible spontaneous emission in a gated plasmonic heterostructure; Nature Communications; Vol. 8; Art. No. 1631; PMCID PMC5696373; 10.1038/s41467-017-01870-0
• Fan, Zheng; Xiao, Hai; et al. (2017) Layer-by-Layer Degradation of Methylammonium Lead Tri-iodide Perovskite Microplates; Joule; Vol. 1; No. 3; 548-562; 10.1016/j.joule.2017.08.005
• Sun, Kun; Cheng, Tao; et al. (2017) Ultrahigh Mass Activity for Carbon Dioxide Reduction Enabled by Gold-iron Core-shell Nanoparticles; Journal of the American Chemical Society; Vol. 139; No. 44; 15608-15611; 10.1021/jacs.7b09251
• Lichterman, Michael F.; Richter, Matthias H.; et al. (2017) Operando X-ray photoelectron spectroscopic investigations of the electrochemical double layer at Ir/KOH(aq) interfaces; Journal of Electron Spectroscopy and Related Phenomena; Vol. 221; 99-105; 10.1016/j.elspec.2017.03.011
• Wiensch, Joshua D.; John, Jimmy; et al. (2017) Comparative Study in Acidic and Alkaline Media of the Effects of pH and Crystallinity on the Hydrogen-Evolution Reaction on MoS_2 and MoSe_2; ACS Energy Letters; Vol. 2; No. 10; 2234-2238; 10.1021/acsenergylett.7b00700
• Shinde, Aniketa; Suram, Santosh K.; et al. (2017) Discovery of Manganese-Based Solar Fuel Photoanodes via Integration of Electronic Structure Calculations, Pourbaix Stability Modeling, and High-Throughput Experiments; ACS Energy Letters; Vol. 2; No. 10; 2307-2312; 10.1021/acsenergylett.7b00607
• Ulissi, Zachary W.; Tang, Michael T.; et al. (2017) Machine-Learning Methods Enable Exhaustive Searches for Active Bimetallic Facets and Reveal Active Site Motifs for CO_2 Reduction; ACS Catalysis; Vol. 7; No. 10; 6600-6608; 10.1021/acscatal.7b01648
• Moreno-Hernandez, Ivan A.; MacFarland, Clara A.; et al. (2017) Crystalline nickel manganese antimonate as a stable water-oxidation catalyst in aqueous 1.0 M H_2SO_4; Energy and Environmental Science; Vol. 2017; No. 10; 2103-2108; 10.1039/C7EE01486D
• Saadi, Fadl H.; Carim, Azhar I.; et al. (2017) Operando Spectroscopic Analysis of CoP Films Electrocatalyzing the Hydrogen-Evolution Reaction; Journal of the American Chemical Society; Vol. 139; No. 37; 12927-12930; 10.1021/jacs.7b07606
• Ding, Feizhi; Tsuchiya, Takashi; et al. (2017) Linear-response time-dependent embedded mean-field theory; Journal of Chemical Theory and Computation; Vol. 13; No. 9; 4216-4227; 10.1021/acs.jctc.7b00666
• Cheng, Tao; Xiao, Hai; et al. (2017) Nature of the active sites for CO reduction on copper nanoparticles; suggestions for optimizing performance; Journal of the American Chemical Society; Vol. 139; No. 34; 11642-11645; 10.1021/jacs.7b03300
• Han, Zhiji; Kortlever, Ruud; et al. (2017) CO_2 Reduction Selective for C_(≥2) Products on Polycrystalline Copper with N-Substituted Pyridinium Additives; ACS Central Science; Vol. 3; No. 8; 853-859; PMCID PMC5571460; 10.1021/acscentsci.7b00180
• Thyagarajan, Krishnan; Sokhoyan, Ruzan; et al. (2017) Millivolt Modulation of Plasmonic Metasurface Optical Response via Ionic Conductance; Advanced Materials; Vol. 29; No. 31; Art. No. 1701044; 10.1002/adma.201701044
• Resasco, Joaquin; Chen, Leanne D.; et al. (2017) Promoter effects of alkali metal cations on the electrochemical reduction of carbon dioxide; Journal of the American Chemical Society; Vol. 139; No. 32; 11277-11287; 10.1021/jacs.7b06765
• Jhalani, Vatsal A.; Zhou, Jin-Jian; et al. (2017) Ultrafast Hot Carrier Dynamics in GaN and its Impact on the Efficiency Droop; Nano Letters; Vol. 17; No. 8; 5012-5019; 10.1021/acs.nanolett.7b02212
• Tagliabue, Giulia; Jermyn, Adam S.; et al. (2017) Hot Carrier Dynamics in Photoexcited Gold Nanostructures: Role of Interband Excitations and Evidence for Ballistic Transport; 10.48550/arXiv.1708.02187
• Kim, Taeyong; Ding, Ding; et al. (2017) Elastic and thermal properties of free-standing molybdenum disulfide membranes measured using ultrafast transient grating spectroscopy; APL Materials; Vol. 5; No. 8; Art. No. 086105; 10.1063/1.4999225
• Liu, Guiji; Eichhorn, Johanna; et al. (2017) Optical, morphological, and electrochemical multimodal characterization for integrated BiVO4 photoanodes
• Mauser, Kelly W.; Kim, Seyoon; et al. (2017) Resonant Thermoelectric Nanophotonics; Nature Nanotechnology; Vol. 12; No. 8; 770-775; 10.1038/NNANO.2017.87
• Sokhoyan, Ruzan; Kafaie Shirmanesh, Ghazaleh; et al. (2017) Tunable optical response and purcell enhancement of gated plasmonic structures; ISBN 978-1-5386-0735-0; 2017 International Conference on Optical MEMS and Nanophotonics; IEEE: Piscataway, NJ; 1-2; 10.1109/OMN.2017.8051450
• Cheng, Tao; Huang, Yufeng; et al. (2017) Predicted Structures of the Active Sites Responsible for the Improved Reduction of Carbon Dioxide by Gold Nanoparticles; Journal of Physical Chemistry Letters; Vol. 8; No. 14; 3317-3320; 10.1021/acs.jpclett.7b01335
• Liu, J. P.; Kirchhoff, J.; et al. (2017) X-ray reflectivity measurement of interdiffusion in metallic multilayers during rapid heating; Journal of Synchrotron Radiation; Vol. 24; No. 4; 796-801; 10.1107/S1600577517008013
• Xiao, Hai; Goddard, William A.; et al. (2017) Cu metal embedded in oxidized matrix catalyst to promote CO₂ activation and CO dimerization for electrochemical reduction of CO₂; Proceedings of the National Academy of Sciences of the United States of America; Vol. 114; No. 26; 6685-6688; PMCID PMC5495255; 10.1073/pnas.1702405114
• Favaro, Marco; Xiao, Hai; et al. (2017) Subsurface oxide plays a critical role in CO₂ activation by Cu(111) surfaces to form chemisorbed CO₂, the first step in reduction of CO₂; Proceedings of the National Academy of Sciences of the United States of America; Vol. 114; No. 26; 6706-6711; PMCID PMC5495248; 10.1073/pnas.1701405114
• He, Lingyun; Zhou, Wu; et al. (2017) Pulsed laser-deposited n-Si/NiO_x photoanodes for stable and efficient photoelectrochemical water splitting; Catalysis Science and Technology; Vol. 7; No. 12; 2632-2638; 10.1039/c7cy00114b
• Hahn, Christopher; Hatsukade, Toru; et al. (2017) Engineering Cu surfaces for the electrocatalytic conversion of CO_2: Controlling selectivity toward oxygenates and hydrocarbons; Proceedings of the National Academy of Sciences of the United States of America; Vol. 114; No. 23; 5918-5923; PMCID PMC5468660; 10.1073/pnas.1618935114
• Kelzenberg, Michael D.; Espinet-González, Pilar; et al. (2017) Design and Prototyping Efforts for the Space Solar Power Initiative; ISBN 978-1-5090-5605-7; 2017 IEEE 44th Photovoltaic Specialist Conference (PVSC); IEEE: Piscataway, NJ; 558-561; 10.1109/PVSC.2017.8366621
• Omelchenko, Stefan T.; Tolstova, Yulia; et al. (2017) Excitonic effects in photovoltaic materials with large exciton binding energies; ISBN 978-1-5090-5605-7; 2017 IEEE 44th Photovoltaic Specialist Conference (PVSC); IEEE: Piscataway, NJ; 1-4; 10.1109/PVSC.2017.8366860
• Espinet-González, Pilar; Vinogradova, Tatiana; et al. (2017) Impact of Space Radiation Environment on Concentrator Photovoltaic Systems; ISBN 978-1-5090-5605-7; 2017 IEEE 44th Photovoltaic Specialist Conference (PVSC); IEEE: Piscataway, NJ; 512-516; 10.1109/PVSC.2017.8366020
• Vaidya, Nina; Kelzenberg, Michael D.; et al. (2017) Lightweight Carbon Fiber Mirrors for Solar Concentrator Applications; ISBN 978-1-5090-5605-7; 2017 IEEE 44th Photovoltaic Specialist Conference (PVSC); IEEE: Piscataway, NJ; 572-577; 10.48550/arXiv.1810.09529
• Bai, Junwen; Bjorck, Johan; et al. (2017) Relaxation Methods for Constrained Matrix Factorization Problems: Solving the Phase Mapping Problem in Materials Discovery; ISBN 978-3-319-59775-1; Integration of AI and OR Techniques in Constraint Programming; Springer: Cham, Switzerland; 104-112; 10.1007/978-3-319-59776-8_9
• Ledina, M. A.; Bui, N.; et al. (2017) Electrochemical Formation of Germanene: pH 4.5; Journal of the Electrochemical Society; Vol. 164; No. 7; D469-D477; 10.1149/2.1221707jes
• Han, Lihao; Lin, Meng; et al. (2017) Reliable Performance Characterization of Mediated Photocatalytic Water-Splitting Half Reactions; ChemSusChem; Vol. 10; No. 10; 2158-2166; 10.1002/cssc.201601901
• Fountaine, K. T. and Lewerenz, H. J. (2017) Efficiency Limits for Hydrogen and Formate Production via Fully-Integrated Photoelectrochemical Devices; ECS Transactions; Vol. 77; No. 4; 15-23; 10.1149/07704.0015ecst
• Zhou, Xinghao; Liu, Rui; et al. (2017) Solar-Driven Reduction of 1 atm CO_2 to Formate at 10% Energy-Conversion Efficiency by Use of a TiO_2-Protected III-V Tandem Photoanode in Conjunction with a Bipolar Membrane and a Pd/C Cathode Electrocatalyst; ECS Transactions; Vol. 77; No. 4; 31-41; 10.1149/07704.0031ecst
• Kim, Youn-Geun; Javier, Alnald; et al. (2017) Reprint of: Surface reconstruction of pure-Cu single-crystal electrodes under CO-reduction potentials in alkaline solutions: A study by seriatim ECSTM-DEMS; Journal of Electroanalytical Chemistry; Vol. 793; 113-118; 10.1016/j.jelechem.2017.04.037
• Singh, Meenesh R.; Xiang, Chengxiang; et al. (2017) Evaluation of flow schemes for near-neutral pH electrolytes in solar-fuel generators; Sustainable Energy and Fuels; Vol. 1; No. 3; 458-466; 10.1039/C7SE00062F
• Ding, Feizhi; Manby, Frederick R.; et al. (2017) Embedded Mean-Field Theory with Block-Orthogonalized Partitioning; Journal of Chemical Theory and Computation; Vol. 13; No. 4; 1605-1615; 10.1021/acs.jctc.6b01065
• Yao, Yuan; Lee, Kyu-Tae; et al. (2017) Porous Nanomaterials for Ultrabroadband Omnidirectional Anti-Reflection Surfaces with Applications in High Concentration Photovoltaics; Advanced Energy Materials; Vol. 7; No. 7; Art. No. 1601992; 10.1002/aenm.201601992
• Sun, Ke; Moreno-Hernandez, Ivan A.; et al. (2017) A comparison of the chemical, optical and electrocatalytic properties of water-oxidation catalysts for use in integrated solar-fuel generators; Energy and Environmental Science; Vol. 10; No. 4; 987-1002; 10.1039/C6EE03563A
• Haber, Joel; Guevarra, Dan; et al. (2017) Development of solar fuels photoanodes through combinatorial integration of Ni- La-Co-Ce oxide and Ni-Fe-Co-Ce oxide catalysts on BiVO₄
• Bouabadi, B.; Aggour, M.; et al. (2017) Enhanced plasmon-mediated photo-assisted hydrogen evolution on silicon by interfacial modification; Journal of Applied Electrochemistry; Vol. 47; No. 4; 457-466; 10.1007/s10800-017-1055-4
• Gregoire, John (2017) High throughput discovery of solar fuels photoanodes
• Newhouse, Paul; Boyd, David; et al. (2017) Solar fuels photoanodes prepared by inkjet printing of copper vanadates
• Naserifar, Saber; Brooks, Daniel J.; et al. (2017) Polarizable charge equilibration model for predicting accurate electrostatic interactions in molecules and solids; Journal of Chemical Physics; Vol. 146; No. 12; Art. No. 124117; 10.1063/1.4978891
• Sundararaman, Ravishankar; Goddard, William A., III; et al. (2017) Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry; Journal of Chemical Physics; Vol. 146; No. 11; Art. No. 114104; 10.1063/1.4978411
• Yan, Qimin; Yu, Jie; et al. (2017) Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment; Proceedings of the National Academy of Sciences of the United States of America; Vol. 114; No. 12; 3040-3043; PMCID PMC5373381; 10.1073/pnas.1619940114
• Nellist, Michael R.; Chen, Yikai; et al. (2017) Atomic force microscopy with nanoelectrode tips for high resolution electrochemical, nanoadhesion and nanoelectrical imaging; Nanotechnology; Vol. 28; No. 9; Art. No. 095711; 10.1088/1361-6528/aa5839
• Green, M. L.; Choi, C. L.; et al. (2017) Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies; Applied Physics Reviews; Vol. 4; No. 1; Art. No. 011105; 10.1063/1.4977487
• Bukowsky, Colton R.; Grandidier, Jonathan; et al. (2017) Photon and carrier management design for nonplanar thin-film copper indium gallium selenide photovoltaics; Solar Energy Materials and Solar Cells; Vol. 161; 149-156; 10.1016/j.solmat.2016.11.008
• Brown, Ana M.; Sundararaman, Ravishankar; et al. (2017) Experimental and Ab Initio Ultrafast Carrier Dynamics in Plasmonic Nanoparticles; Physical Review Letters; Vol. 118; No. 8; Art. No. 087401; 10.1103/PhysRevLett.118.087401
• Cheng, Tao; Xiao, Hai; et al. (2017) Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free-energy calculations at 298 K; Proceedings of the National Academy of Sciences of the United States of America; Vol. 114; No. 8; 1795-1800; PMCID PMC5338443; 10.1073/pnas.1612106114
• Javier, A.; Baricuatro, J. H.; et al. (2017) Electrocatalytic Reduction of CO_2 on Cu and Au/W Electrode Surfaces: Empirical (DEMS) Confirmation of Computational (DFT) Predictions; ECS Transactions; Vol. 75; No. 48; 1-17; 10.1149/07548.0001ecst
• Kim, Y.-G.; Baricuatro, J. H.; et al. (2017) Tuning the CO-Reduction Product Distribution by Structural Modification of the Cu Electrode Surface; ECS Transactions; Vol. 75; No. 50; 87-97; 10.1149/07550.0087ecst
• Omelchenko, Stefan T.; Tolstova, Yulia; et al. (2017) Excitonic Effects in Emerging Photovoltaic Materials: A Case Study in Cu_2O; ACS Energy Letters; Vol. 2; No. 2; 431-437; 10.1021/acsenergylett.6b00704
• Favaro, Marco; Drisdell, Walter S.; et al. (2017) An Operando Investigation of (Ni-Fe-Co-Ce)O_x System as Highly Efficient Electrocatalyst for Oxygen Evolution Reaction; ACS Catalysis; Vol. 7; No. 2; 1248-1258; 10.1021/acscatal.6b03126
• Tolstova, Yulia; Omelchenko, Stefan T.; et al. (2017) Polycrystalline Cu_(2)O photovoltaic devices incorporating Zn(O,S) window layers; Solar Energy Materials and Solar Cells; Vol. 160; 340-345; 10.1016/j.solmat.2016.10.049
• Cheng, Tao; Goddard, William A., III; et al. (2017) Mechanism and kinetics of the electrocatalytic reaction responsible for the high cost of hydrogen fuel cells; Physical Chemistry Chemical Physics; Vol. 19; No. 4; 2666-2673; 10.1039/c6cp08055c
• Xiao, Hai; Cheng, Tao; et al. (2017) Atomistic Mechanisms Underlying Selectivities in C_1 and C_2 Products from Electrochemical Reduction of CO on Cu(111); Journal of the American Chemical Society; Vol. 139; No. 1; 130-136; 10.1021/jacs.6b06846
• Ping, Yuan; Nielsen, Robert J.; et al. (2017) The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO_2 (110) Surface; Journal of the American Chemical Society; Vol. 139; No. 1; 149-155; 10.1021/jacs.6b07557
• Suram, Santosh K.; Xue, Yexiang; et al. (2017) Automated Phase Mapping with AgileFD and its Application to Light Absorber Discovery in the V-Mn-Nb Oxide System; ACS Combinatorial Science; Vol. 19; No. 1; 37-46; 10.1021/acscombsci.6b00153
• Jung, Suho; Kortlever, Ruud; et al. (2017) Gastight Hydrodynamic Electrochemistry: Design for a Hermetically Sealed Rotating Disk Electrode Cell; Analytical Chemistry; Vol. 89; No. 1; 581-585; 10.1021/acs.analchem.6b04228
• Kim, Youn-Geun; Javier, Alnald; et al. (2017) Seriatim ECSTM-DEMS of Cu-catalyzed reduction of CO in alkaline solution: Operando correlation of electrode-surface atomic structure with product selectivity; Current Topics in Catalysis; Vol. 13; 1-9; 10.31300/ctct.13.2017.1-9
• Li, Mufan; Zhao, Zipeng; et al. (2016) Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction; Science; Vol. 354; No. 6318; 1414-1419; 10.1126/science.aaf9050
• Beatty, John; Cheng, Tao; et al. (2016) Nucleation of Graphene Layers On Magnetic Oxides: Co_3O_4(111) and Cr_2O_3(0001) from Theory and Experiment; Journal of Physical Chemistry Letters; Vol. 2017; No. 8; 188-192; 10.1021/acs.jpclett.6b02325
• Liu, Yuanyue; Xiao, Hai; et al. (2016) Schottky-barrier-free contacts with two-dimensional semiconductors by surface-engineered MXenes; Journal of the American Chemical Society; Vol. 138; No. 49; 15853-15856; 10.1021/jacs.6b10834
• Fountaine, Katherine T.; Lewerenz, Hans Joachim; et al. (2016) Efficiency limits for photoelectrochemical water-splitting; Nature Communications; Vol. 7; Art. No. 13706; PMCID PMC5146289; 10.1038/ncomms13706
• Lewis, Nathan S. (2016) Developing a scalable artificial photosynthesis technology through nanomaterials by design; Nature Nanotechnology; Vol. 11; No. 12; 1010-1019; 10.1038/nnano.2016.194
• Zhou, Jin-Jian and Bernardi, Marco (2016) Ab initio electron mobility and polar phonon scattering in GaAs; Physical Review B; Vol. 94; No. 20; Art. No. 201201(R); 10.1103/PhysRevB.94.201201
• Suram, Santosh K.; Newhouse, Paul F.; et al. (2016) High Throughput Light Absorber Discovery, Part 1: An Algorithm for Automated Tauc Analysis; ACS Combinatorial Science; Vol. 18; No. 11; 673-681; 10.1021/acscombsci.6b00053
• Suram, Santosh K.; Newhouse, Paul F.; et al. (2016) High Throughput Light Absorber Discovery, Part 2: Establishing Structure–Band Gap Energy Relationships; ACS Combinatorial Science; Vol. 18; No. 11; 682-688; 10.1021/acscombsci.6b00054
• Kisielowski, C.; Frei, H.; et al. (2016) Detecting structural variances of Co₃O₄ catalysts by controlling beam-induced sample alterations in the vacuum of a transmission electron microscope; Advanced Structural and Chemical Imaging; Vol. 2; Art. No. 13; PMCID PMC5093192; 10.1186/s40679-016-0027-9
• Kim, Youn-Geun; Javier, Alnald; et al. (2016) Surface reconstruction of pure-Cu single-crystal electrodes under Co-reduction potentials in alkaline solutions: A study by seriatim ECSTM-DEMS; Journal of Electroanalytical Chemistry; Vol. 780; 290-295; 10.1016/j.jelechem.2016.09.029
• Hsiow, Chuen-Yo; Wang, Han-Ying; et al. (2016) Synthesis and Characterization of Two-Dimensional Conjugated Polymers Incorporating Electron-Deficient Moieties for Application in Organic Photovoltaics; Polymers; Vol. 8; No. 11; Art. No. 382; PMCID PMC6432402; 10.3390/polym8110382
• Cheng, Tao; Xiao, Hai; et al. (2016) Reaction Mechanisms for the Electrochemical Reduction of CO_2 to CO and Formate on the Cu(100) Surface at 298 K from Quantum Mechanics Free Energy Calculations with Explicit Water; Journal of the American Chemical Society; Vol. 138; No. 42; 13802-13805; 10.1021/jacs.6b08534
• Yalamanchili, Sisir; Emmer, Hal S.; et al. (2016) Enhanced Absorption and <1% Spectrum-and-Angle-Averaged Reflection in Tapered Microwire Arrays; ACS Photonics; Vol. 3; No. 10; 1854-1861; 10.1021/acsphotonics.6b00370
• Fountaine, Katherine T.; Cheng, Wen-Hui; et al. (2016) Near-Unity Unselective Absorption in Sparse InP Nanowire Arrays; ACS Photonics; Vol. 3; No. 10; 1826-1832; 10.1021/acsphotonics.6b00341
• Zhou, Xinghao; Liu, Rui; et al. (2016) Solar-Driven Reduction of 1 atm of CO_2 to Formate at 10% Energy-Conversion Efficiency by Use of a TiO_2-Protected III–V Tandem Photoanode in Conjunction with a Bipolar Membrane and a Pd/C Cathode; ACS Energy Letters; Vol. 1; No. 4; 764-770; 10.1021/acsenergylett.6b00317
• Xiang, Chengxiang; Weber, Adam Z.; et al. (2016) Modeling, Simulation, and Implementation of Solar-Driven Water-Splitting Devices; Angewandte Chemie International Edition; Vol. 55; No. 42; 12974-12988; 10.1002/anie.201510463
• Johnson, Samantha I.; Nielsen, Robert J.; et al. (2016) Selectivity for HCO₂^– over H₂ in the Electrochemical Catalytic Reduction of CO₂ by (POCOP)IrH₂; ACS Catalysis; Vol. 6; No. 10; 6362-6371; 10.1021/acscatal.6b01755
• Shinde, A.; Li, G.; et al. (2016) The role of the CeO_2/BiVO_4 interface in optimized Fe-Ce oxide coatings for solar fuels photoanodes; Journal of Materials Chemistry A; Vol. 4; No. 37; 14356-14363; 10.1039/c6ta04746g
• Saive, Rebecca; Borsuk, Aleca M.; et al. (2016) Effectively Transparent Front Contacts for Optoelectronic Devices; Advanced Optical Materials; Vol. 4; No. 10; 1470-1474; 10.1002/adom.201600252
• Narang, Prineha; Sundararaman, Ravishankar; et al. (2016) Cubic Nonlinearity Driven Up-Conversion in High-Field Plasmonic Hot Carrier Systems; Journal of Physical Chemistry C; Vol. 120; No. 37; 21056-21062; 10.1021/acs.jpcc.6b03463
• Shinde, Aniketa; Guevarra, Dan; et al. (2016) Discovery of Fe–Ce Oxide/BiVO₄ Photoanodes through Combinatorial Exploration of Ni–Fe–Co–Ce Oxide Coatings; ACS Applied Materials & Interfaces; Vol. 8; No. 36; 23696-23705; 10.1021/acsami.6b06714
• Huang, Yao-Wei; Lee, Ho Wai Howard; et al. (2016) Gate-Tunable Conducting Oxide Metasurfaces; Nano Letters; Vol. 16; No. 9; 5319-5325; 10.1021/acs.nanolett.6b00555
• Wang, Ruirui; Pan, Kecheng; et al. (2016) Solar-Driven H_2O_2 Generation From H_2O and O_2 Using Earth-Abundant Mixed-Metal Oxide@Carbon Nitride Photocatalysts; ChemSusChem; Vol. 9; No. 17; 2470-2479; 10.1002/cssc.201600705
• Lewerenz, Hans-Joachim; Lichterman, Michael F.; et al. (2016) Operando Analyses of Solar Fuels Light Absorbers and Catalysts; Electrochimica Acta; Vol. 211; 711-719; 10.1016/j.electacta.2016.06.006
• Kim, Youn-Geun; Javier, Alnald; et al. (2016) Regulating the Product Distribution of CO Reduction by the Atomic-Level Structural Modification of the Cu Electrode Surface; Electrocatalysis; Vol. 7; No. 5; 391-399; 10.1007/s12678-016-0314-1
• Lewis, Nathan S. (2016) Progress Towards a Synergistically Integrated, Scalable Solar Fuels Generator; ISBN 9780841231467; Nanotechnology: Delivering on the Promise; American Chemical Society: Washington, DC; 3-22; 10.1021/bk-2016-1224.ch001
• Brown, Ana M.; Sundararaman, Ravishankar; et al. (2016) Ab initio phonon coupling and optical response of hot electrons in plasmonic metals; Physical Review B; Vol. 94; No. 7; Art. No. 075120; 10.1103/PhysRevB.94.075120
• Baricuatro, Jack H.; Saadi, Fadl H.; et al. (2016) Influence of Redox-Inactive Cations on the Structure and Electrochemical Reactivity of Synthetic Birnessite, a Heterogeneous Analog for the Oxygen-Evolving Complex; Journal of Physical Chemistry C; Vol. 120; No. 29; 15618-15631; 10.1021/acs.jpcc.5b07028
• Sieh, Daniel and Kubiak, Clifford P. (2016) A Series of Diamagnetic Pyridine Monoimine Rhenium Complexes with Different Degrees of Metal-to-Ligand Charge Transfer: Correlating ^(13)C NMR Chemical Shifts with Bond Lengths in Redox-Active Ligands; Chemistry: a European Journal; Vol. 22; No. 30; 10638-10650; 10.1002/chem.201600679
• Kiriya, Daisuke; Lobaccaro, Peter; et al. (2016) General Thermal Texturization Process of MoS₂ for Efficient Electrocatalytic Hydrogen Evolution Reaction; Nano Letters; Vol. 16; No. 7; 4047-4053; 10.1021/acs.nanolett.6b00569
• Sun, Ke; Liu, Rui; et al. (2016) A Stabilized, Intrinsically Safe, 10% Efficient, Solar-Driven Water-Splitting Cell Incorporating Earth-Abundant Electrocatalysts with Steady-State pH Gradients and Product Separation Enabled by a Bipolar Membrane; Advanced Energy Materials; Vol. 6; No. 13; Art. No. 1600379; 10.1002/aenm.201600379
• Cheng, Chuyang; Cheng, Tao; et al. (2016) Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes; Journal of the American Chemical Society; Vol. 138; No. 26; 8288-8300; 10.1021/jacs.6b04343
• Toma, Francesca M.; Cooper, Jason K.; et al. (2016) Mechanistic insights into chemical and photochemical transformations of bismuth vanadate photoanodes; Nature Communications; Vol. 7; Art. No. 12012; PMCID PMC4935965; 10.1038/ncomms12012
• Shaner, Matthew R.; Atwater, Harry A.; et al. (2016) A comparative technoeconomic analysis of renewable hydrogen production using solar energy; Energy and Environmental Science; Vol. 9; No. 7; 2354-2371; 10.1039/c5ee02573g
• Lewis, Nathan S. (2016) Aspects of science and technology in support of legal and policy frameworks associated with a global carbon emissions-control regime; Energy and Environmental Science; Vol. 9; No. 7; 2172-2176; 10.1039/c6ee00272b
• Bernardi, Marco and Grossman, Jeffrey C. (2016) Computer calculations across time and length scales in photovoltaic solar cells; Energy and Environmental Science; Vol. 9; No. 7; 2197-2218; 10.1039/C6EE01010E
• Yang, Xiaogang; Liu, Rui; et al. (2016) Dual Influence of Reduction Annealing on Diffused Hematite/FTO Junction for Enhanced Photoelectrochemical Water Oxidation; ACS Applied Materials & Interfaces; Vol. 8; No. 25; 16476-16485; 10.1021/acsami.6b04213
• Schwarz, Kathleen; Xu, Bingjun; et al. (2016) Partial oxidation of step-bound water leads to anomalous pH effects on metal electrode step-edges; Physical Chemistry Chemical Physics; Vol. 18; No. 24; 16216-16223; PMCID PMC10958776; 10.1039/c6cp01652a
• Chen, Yikai; Lewis, Nathan S.; et al. (2016) Modeling and Simulation of the Spatial and Light-Intensity Dependence of Product Distributions in an Integrated Photoelectrochemical CO_2 Reduction System; ACS Energy Letters; Vol. 2016; No. 1; 273-280; 10.1021/acsenergylett.6b00134
• Haber, Joel; Guevarra, Dan; et al. (2016) Development of solar fuels photoanodes through combinatorial integration of Ni-La-Co-Ce oxide and Ni-Fe-Co-Ce oxide catalysts on BiVO₄
• Saive, Rebecca; Bukowsky, Colton R.; et al. (2016) Effectively transparent contacts (ETCs) for solar cells; ISBN 9781509027248; 2016 IEEE 43rd Photovoltaic Specialists Conference (PVSC); IEEE: Piscataway, NJ; 3612-3615; 10.1109/pvsc.2016.7750346
• Omelchenko, Stefan T.; Tolstova, Yulia; et al. (2016) Excitonic effects in photovoltaic materials with large exciton binding energies; ISBN 978-1-5090-2724-8; IEEE 43rd Photovoltaic Specialists Conference; IEEE: Piscataway, NJ; 3616-3619; 10.1109/PVSC.2016.7750347
• Narang, Prineha; Sundararaman, Ravishankar; et al. (2016) Plasmonic hot carrier dynamics in solid-state and chemical systems for energy conversion; Nanophotonics; Vol. 5; No. 1; 96-111; 10.1515/nanoph-2016-0007
• Azarpia, Anahita; Schedel-Niedrig, Thomas; et al. (2016) Sustained Water Oxidation by Direct Electrosynthesis of Ultrathin Organic Protection Films on Silicon; Advanced Energy Materials; Vol. 6; No. 10; 1502314; 10.1002/aenm.201502314
• Jiang, Shaojie; Fang, Yanan; et al. (2016) Pressure-Dependent Polymorphism and Band-Gap Tuning of Methylammonium Lead Iodide Perovskite; Angewandte Chemie International Edition; Vol. 55; No. 22; 6540-6544; 10.1002/anie.201601788
• Newhouse, P. F.; Boyd, D. A.; et al. (2016) Solar fuel photoanodes prepared by inkjet printing of copper vanadates; Journal of Materials Chemistry A; Vol. 4; No. 19; 7483-7494; 10.1039/C6TA01252C
• Liu, Yuanyue; Xiao, Hai; et al. (2016) Two-Dimensional Halide Perovskites: Tuning Electronic Activities of Defects; Nano Letters; Vol. 16; No. 5; 3335-3340; 10.1021/acs.nanolett.6b00964
• Xiang, Chengxiang; Papadantonakis, Kimberly M.; et al. (2016) Principles and implementations of electrolysis systems for water splitting; Materials Horizons; Vol. 2016; No. 3; 169-173; 10.1039/c6mh00016a
• Hattrick-Simpers, Jason R.; Gregoire, John M.; et al. (2016) Perspective: Composition–structure–property mapping in high-throughput experiments: Turning data into knowledge; APL Materials; Vol. 4; No. 5; Art. No. 053211; 10.1063/1.4950995
• Zhou, Lan; Yan, Qimin; et al. (2016) Stability and self-passivation of copper vanadate photoanodes under chemical, electrochemical, and photoelectrochemical operation; Physical Chemistry Chemical Physics; Vol. 18; No. 14; 9349-9352; 10.1039/C6CP00473C
• Zhou, Xinghao; Liu, Rui; et al. (2016) 570 mV photovoltage, stabilized n-Si/CoO_x heterojunction photoanodes fabricated using atomic layer deposition; Energy and Environmental Science; Vol. 9; No. 3; 892-897; 10.1039/C5EE03655K
• Tolstova, Yulia; Omelchenko, Stefan T.; et al. (2016) Heteroepitaxial growth of Pt and Au thin films on MgO single crystals by bias-assisted sputtering; Scientific Reports; Vol. 6; Art. No. 23232; PMCID PMC4794713; 10.1038/srep23232
• Azhagurajan, Mukkannan; Kajita, Tetsuya; et al. (2016) In Situ Visualization of Lithium Ion Intercalation into MoS_2 Single Crystals using Differential Optical Microscopy with Atomic Layer Resolution; Journal of the American Chemical Society; Vol. 138; No. 10; 3355-3361; 10.1021/jacs.5b11849
• Lichterman, Michael F.; Sun, Ke; et al. (2016) Protection of inorganic semiconductors for sustained, efficient photoelectrochemical water oxidation; Catalysis Today; Vol. 262; 11-23; 10.1016/j.cattod.2015.08.017
• Meng, Xiangying; Wang, Lu; et al. (2016) Discovery of Fe_2 =P-Type Ti(Zr/Hf)_2O_6 Photocatalysts toward Water Splitting; Chemistry of Materials; Vol. 28; No. 5; 1335-1342; 10.1021/acs.chemmater.5b04256
• Torelli, Daniel A.; Francis, Sonja A.; et al. (2016) Nickel−Gallium-Catalyzed Electrochemical Reduction of CO_2 to Highly Reduced Products at Low Overpotentials; ACS Catalysis; Vol. 6; No. 3; 2100-2104; 10.1021/acscatal.5b02888
• Crowley, Jason M.; Tahir-Kheli, Jamil; et al. (2016) Resolution of the Band Gap Prediction Problem for Materials Design; Journal of Physical Chemistry Letters; Vol. 2016; No. 7; 1198-1203; 10.1021/acs.jpclett.5b02870
• Goddard, William; Cheng, Tao; et al. (2016) Detailed reaction mechanisms for oxygen-reduction and CO_2-reduction reactions at electrode surfaces
• Jung, Suho; McCrory, Charles C. L.; et al. (2016) Benchmarking nanoparticulate metal oxide electrocatalysts for the alkaline water oxidation reaction; Journal of Materials Chemistry A; Vol. 4; No. 8; 3068-3076; 10.1039/c5ta07586f
• Hu, Shu; Richter, Matthias H.; et al. (2016) Electrical, Photoelectrochemical, and Photoelectron Spectroscopic Investigation of the Interfacial Transport and Energetics of Amorphous TiO₂/Si Heterojunctions; Journal of Physical Chemistry C; Vol. 120; No. 6; 3117-3129; 10.1021/acs.jpcc.5b09121
• Guevarra, D.; Shinde, A.; et al. (2016) Development of solar fuels photoanodes through combinatorial integration of Ni–La–Co–Ce oxide catalysts on BiVO₄; Energy and Environmental Science; Vol. 9; No. 2; 565-580; 10.1039/c5ee03488d
• Lewis, Nathan S. (2016) Research opportunities to advance solar energy utilization; Science; Vol. 351; No. 6271; Art. No. aad1920; 10.1126/science.aad1920
• Xiao, Hai; Cheng, Tao; et al. (2016) Mechanistic Explanation of the pH Dependence and Onset Potentials for Hydrocarbon Products from Electrochemical Reduction of CO on Cu (111); Journal of the American Chemical Society; Vol. 138; No. 2; 483-486; 10.1021/jacs.5b11390
• Velazquez, Jesus M.; John, Jimmy; et al. (2016) A scanning probe investigation of the role of surface motifs in the behavior of p-WSe_2 photocathodes; Energy and Environmental Science; Vol. 9; No. 1; 164-175; 10.1039/C5EE02530C
• Brown, Ana M.; Sundararaman, Ravishankar; et al. (2016) Nonradiative Plasmon Decay and Hot Carrier Dynamics: Effects of Phonons, Surfaces, and Geometry; ACS Nano; Vol. 10; No. 1; 957-966; 10.1021/acsnano.5b06199
• Lichterman, Michael F.; Richter, Matthias H.; et al. (2016) An Electrochemical, Microtopographical and Ambient Pressure X-Ray Photoelectron Spectroscopic Investigation of Si/TiO_2/Ni/Electrolyte Interfaces; Journal of the Electrochemical Society; Vol. 163; No. 2; H139-H146; 10.1149/2.0861602jes
• Shaner, Matthew R.; McDowell, Matthew T.; et al. (2016) Si/TiO_2 Tandem-Junction Microwire Arrays for Unassisted Solar-Driven Water Splitting; Journal of the Electrochemical Society; Vol. 163; No. 5; H261-H264; 10.1149/2.0141605jes
• Suram, Santosh K.; Pesenson, Meyer Z.; et al. (2015) High Throughput Combinatorial Experimentation + Informatics = Combinatorial Science; ISBN 978-3-319-23870-8; Information Science for Materials Discovery and Design; Springer: Cham, Switzerland; 271-300; 10.1007/978-3-319-23871-5_14
• Ping, Yuan; Sundararaman, Ravishankar; et al. (2015) Solvation effects on the band edge positions of photocatalysts from first principles; Physical Chemistry Chemical Physics; Vol. 17; No. 45; 30499-30509; 10.1039/c5cp05740j
• Cheng, Tao; Xiao, Hai; et al. (2015) Free-Energy Barriers and Reaction Mechanisms for the Electrochemical Reduction of CO on the Cu(100) Surface, Including Multiple Layers of Explicit Solvent at pH 0; Journal of Physical Chemistry Letters; Vol. 6; No. 23; 4767-4773; 10.1021/acs.jpclett.5b02247
• Huang, Zhuangqun; Jiang, Jingjing; et al. (2015) Atomic Force Microscopy for Solar Fuels Research: An Introductory Review; Energy and Environment Focus; Vol. 4; No. 4; 260-277; 10.1166/eef.2015.1180
• Gethers, Matthew L.; Thomas, John C.; et al. (2015) Holey Graphene as a Weed Barrier for Molecules; ACS Nano; Vol. 9; No. 11; 10909-10915; 10.1021/acsnano.5b03936
• Zhou, Lan; Yan, Qimin; et al. (2015) High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V_2O_5 System; Advanced Energy Materials; Vol. 5; No. 22; Art. No. 1500968; 10.1002/aenm.201500968
• Verlage, Erik; Hu, Shu; et al. (2015) A Monolithically Integrated, Intrinsically Safe, 10% Efficient, Solar-Driven Water-Splitting System Based on Active, Stable Earth-Abundant Electrocatalysts in Conjunction with Tandem III-V Light Absorbers Protected by Amorphous TiO_2 Films; Energy and Environmental Science; Vol. 8; No. 11; 3166-3172; 10.1039/C5EE01786F
• Fenwick, Aidan Q.; Gregoire, John M.; et al. (2015) Electrocatalytic Reduction of Nitrogen and Carbon Dioxide to Chemical Fuels: Challenges and Opportunities for a Solar Fuel Device; Journal of Photochemistry and Photobiology B: Biology; Vol. 152; 47-57; 10.1016/j.jphotobiol.2014.12.019
• Javier, Alnald; Baricuatro, Jack H.; et al. (2015) Overlayer Au-on-W Near-Surface Alloy for the Selective Electrochemical Reduction of CO_2 to Methanol: Empirical (DEMS) Corroboration of a Computational (DFT) Prediction; Electrocatalysis; Vol. 6; No. 6; 493-497; 10.1007/s12678-015-0276-8
• Fenwick, Aidan Q. and Luca, Oana R. (2015) The Formation of CO by Thermal Decomposition of Formic Acid under Electrochemical Conditions of CO_2 Reduction; Journal of Photochemistry and Photobiology B: Biology; Vol. 152; 43-46; 10.1016/j.jphotobiol.2015.04.003
• Hu, Shu; Lewis, Nathan S.; et al. (2015) Thin-Film Materials for the Protection of Semiconducting Photoelectrodes in Solar-Fuel Generators; Journal of Physical Chemistry C; Vol. 119; No. 43; 24201-24228; 10.1021/acs.jpcc.5b05976
• Zhou, Lan; Suram, Santosh K.; et al. (2015) Combining reactive sputtering and rapid thermal processing for synthesis and discovery of metal oxynitrides; Journal of Materials Research; Vol. 30; No. 19; 2928-2933; 10.1557/jmr.2015.140
• Ager, Joel W.; Shaner, Matthew R.; et al. (2015) Experimental demonstrations of spontaneous, solar-driven photoelectrochemical water splitting; Energy and Environmental Science; Vol. 8; No. 10; 2811-2824; 10.1039/c5ee00457h
• Shaner, Matthew R.; McKone, James R.; et al. (2015) Functional integration of Ni–Mo electrocatalysts with Si microwire array photocathodes to simultaneously achieve high fill factors and light-limited photocurrent densities for solar-driven hydrogen evolution; Energy and Environmental Science; Vol. 8; No. 10; 2977-2984; 10.1039/C5EE01076D
• Fabian, David M.; Hu, Shu; et al. (2015) Particle suspension reactors and materials for solar-driven water splitting; Energy and Environmental Science; Vol. 8; No. 10; 2825-2850; 10.1039/C5EE01434D
• Suseno, Sandy; McCrory, Charles C. L.; et al. (2015) Molecular Mixed-Metal Manganese Oxido Cubanes as Precursors to Heterogeneous Oxygen Evolution Catalysts; Chemistry: a European Journal; Vol. 21; No. 38; 13420-13430; PMCID PMC4868073; 10.1002/chem.201501104
• Singh, Meenesh R.; Papadantonakis, Kimberly M.; et al. (2015) An electrochemical engineering assessment of the operational conditions and constraints for solar-driven water-splitting systems at near-neutral pH; Energy and Environmental Science; Vol. 8; No. 9; 2760-2767; 10.1039/c5ee01721a
• Zhou, Xinghao; Liu, Rui; et al. (2015) Interface engineering of the photoelectrochemical performance of Ni-oxide-coated n-Si photoanodes by atomic-layer deposition of ultrathin films of cobalt oxide; Energy and Environmental Science; Vol. 8; No. 9; 2644-2649; 10.1039/c5ee01687h
• May, Matthias M.; Lewerenz, Hans-Joachim; et al. (2015) Efficient direct solar-to-hydrogen conversion by in situ interface transformation of a tandem structure; Nature Communications; Vol. 6; No. 9; Art. No. 8286; PMCID PMC4579846; 10.1038/ncomms9286
• Plymale, Noah T.; Kim, Youn-Geun; et al. (2015) Synthesis, Characterization, and Reactivity of Ethynyl- and Propynyl-Terminated Si(111) Surfaces; Journal of Physical Chemistry C; Vol. 119; No. 34; 19847-19862; 10.1021/acs.jpcc.5b05028
• Lichterman, Michael F.; Hu, Shu; et al. (2015) Direct observation of the energetics at a semiconductor/liquid junction by operando X-ray photoelectron spectroscopy; Energy and Environmental Science; Vol. 8; No. 8; 2409-2416; 10.1039/C5EE01014D
• Wong, Keith T.; Kim, Youn-Geun; et al. (2015) Synthesis and Characterization of Atomically Flat Methyl-Terminated Ge(111) Surfaces; Journal of the American Chemical Society; Vol. 137; No. 28; 9006-9014; 10.1021/jacs.5b03339
• McDowell, Matthew T.; Lichterman, Michael F.; et al. (2015) The Influence of Structure and Processing on the Behavior of TiO_2 Protective Layers for Stabilization of n-Si/TiO_2/Ni Photoanodes for Water Oxidation; ACS Applied Materials & Interfaces; Vol. 7; No. 28; 15189-15199; 10.1021/acsami.5b00379
• Lewis, Nathan S. and Nocera, Daniel G. (2015) The solar opportunity; The Bridge; Vol. 45; No. 2; 41-47
• Liu, Rui; Han, Lihao; et al. (2015) A low-temperature synthesis of electrochemical active Pt nanoparticles and thin films by atomic layer deposition on Si(111) and glassy carbon surfaces; Thin Solid Films; Vol. 586; 28-34; 10.1016/j.tsf.2015.04.018
• Kuang, Yanjin; Sun, Ke; et al. (2015) Enhancement of the performance of GaP solar cells by embedded In(N)P quantum dots; Nano Energy; Vol. 15; 782-788; 10.1016/j.nanoen.2015.06.003
• Liu, Rui; Stephani, Carolynn; et al. (2015) Tuning redox potentials of CO_2 reduction catalysts for carbon photofixation by Si nanowires; Science China Materials; Vol. 58; No. 7; 515-520; 10.1007/s40843-015-0068-8
• Sun, Ke; Kuang, Yanjin; et al. (2015) Sputtered NiO_x Films for Stabilization of p^+n-lnP Photoanodes for Solar-Driven Water Oxidation; Advanced Energy Materials; Vol. 5; No. 11; Art. No. 1402276; 10.1002/aenm.201402276
• Chen, Yikai; Sun, Ke; et al. (2015) A quantitative analysis of the efficiency of solar-driven water-splitting device designs based on tandem photoabsorbers patterned with islands of metallic electrocatalysts; Energy and Environmental Science; Vol. 8; No. 6; 1736-1747; 10.1039/c5ee00311c
• Sieh, Daniel; Lacy, David C.; et al. (2015) Reduction of CO₂ by Pyridine Monoimine Molybdenum Carbonyl Complexes: Cooperative Metal–Ligand Binding of CO₂; Chemistry: a European Journal; Vol. 21; No. 23; 8497-8503; PMCID PMC4523092; 10.1002/chem.201500463
• Tolstova, Yulia; Wilson, Samantha S.; et al. (2015) Molecular Beam Epitaxy of Cu_2O Heterostructures for Photovoltaics; 10.1109/PVSC.2015.7355913
• Omelchenko, Stefan T.; Tolstova, Yulia; et al. (2015) Single crystal Cu_2O photovoltaics by the floating zone method; 10.1109/PVSC.2015.7355920
• Huang, Yufeng; Nielsen, Robert J.; et al. (2015) The Reaction Mechanism with Free Energy Barriers for Electrochemical Dihydrogen Evolution on MoS_2; Journal of the American Chemical Society; Vol. 137; No. 20; 6692-6698; 10.1021/jacs.5b03329
• Haber, Joel A.; Anzenburg, Eitan; et al. (2015) Multiphase Nanostructure of a Quinary Metal Oxide Electrocatalyst Reveals a New Direction for OER Electrocatalyst Design; Advanced Energy Materials; Vol. 5; No. 10; Art. No. 1402307; 10.1002/aenm.201402307
• Ledina, M. A.; Liang, X.; et al. (2015) Investigations into the Formation of Germanene Using Electrochemical Atomic Layer Deposition (E-ALD); ECS Transactions; Vol. 66; No. 6; 129-140; 10.1149/06606.0129ecst
• Lichterman, Michael Frankston; Richter, Matthias Hermann; et al. (2015) Investigation of the Si/TiO_2/Electrolyte Interface Using Operando Tender X-ray Photoelectron Spectroscopy; ECS Transactions; Vol. 66; No. 6; 97-103; 10.1149/06606.0097ecst
• Richter, Matthias Hermann; Lichterman, Michael Frankston; et al. (2015) Measurement of the Energy-Band Relations of Stabilized Si Photoanodes Using Operando Ambient Pressure X-ray Photoelectron Spectroscopy; ECS Transactions; Vol. 66; No. 6; 105-113; 10.1149/06606.0105ecst
• Ardo, Shane; Park, Sang Hee; et al. (2015) Unassisted solar-driven photoelectrosynthetic HI splitting using membrane-embedded Si microwire arrays; Energy and Environmental Science; Vol. 8; No. 5; 1484-1492; 10.1039/c5ee00227c
• Yan, Qimin; Li, Guo; et al. (2015) Mn_2V_2O_7: An Earth Abundant Light Absorber for Solar Water Splitting; Advanced Energy Materials; Vol. 5; No. 8; Art. No. 1401840; 10.1002/aenm.201401840
• Luca, Oana R.; McCrory, Charles C. L.; et al. (2015) The Selective Electrochemical Conversion of Preactivated CO_2 to Methane; Journal of the Electrochemical Society; Vol. 162; No. 7; H473-H476; 10.1149/2.0371507jes
• McCrory, Charles C. L.; Jung, Suho; et al. (2015) Benchmarking Hydrogen Evolving Reaction and Oxygen Evolving Reaction Electrocatalysts for Solar Water Splitting Devices; Journal of the American Chemical Society; Vol. 137; No. 13; 4347-4357; 10.1021/ja510442p
• Suram, Santosh K.; Haber, Joel A.; et al. (2015) Generating Information-Rich High-Throughput Experimental Materials Genomes using Functional Clustering via Multitree Genetic Programming and Information Theory; ACS Combinatorial Science; Vol. 17; No. 4; 224-233; 10.1021/co5001579
• Niu, Kai-Yang; Lin, Feng; et al. (2015) Tuning Complex Transition Metal Hydroxide Nanostructures as Active Catalysts for Water Oxidation by a Laser−Chemical Route; Nano Letters; Vol. 15; No. 4; 2498-2503; 10.1021/acs.nanolett.5b00026
• Sun, Ke; Saadi, Fadl H.; et al. (2015) Stable solar-driven oxidation of water by semiconducting photoanodes protected by transparent catalytic nickel oxide films; Proceedings of the National Academy of Sciences of the United States of America; Vol. 112; No. 12; 3612-3617; PMCID PMC4378389; 10.1073/pnas.1423034112
• Chen, Yikai; Hu, Shu; et al. (2015) A sensitivity analysis to assess the relative importance of improvements in electrocatalysts, light absorbers, and system geometry on the efficiency of solar-fuels generators; Energy and Environmental Science; Vol. 8; No. 3; 876-886; 10.1039/c4ee02314e
• Javier, Alnald; Chmielowiec, Brian; et al. (2015) A DEMS Study of the Reduction of CO_2, CO, and HCHO Pre-Adsorbed on Cu Electrodes: Empirical Inferences on the CO_2RR Mechanism; Electrocatalysis; Vol. 6; No. 2; 127-131; 10.1007/s12678-015-0246-1
• Mitrovic, Slobodan; Soedarmadji, Edwin; et al. (2015) Colorimetric Screening for High-Throughput Discovery of Light Absorbers; ACS Combinatorial Science; Vol. 17; No. 3; 176-181; 10.1021/co500151u
• Suram, Santosh K.; Zhou, Lan; et al. (2015) Combinatorial thin film composition mapping using three dimensional deposition profiles; Review of Scientific Instruments; Vol. 86; No. 3; Art. No. 033904; 10.1063/1.4914466
• Shinde, Aniketa; Jones, Ryan J. R.; et al. (2015) High-Throughput Screening for Acid-Stable Oxygen Evolution Electrocatalysts in the (Mn–Co–Ta–Sb)O_x Composition Space; Electrocatalysis; Vol. 6; No. 2; 229-236; 10.1007/s12678-014-0237-7
• Han, Lihao; Digdaya, Ibadillah A.; et al. (2015) Gradient dopant profiling and spectral utilization of monolithic thin-film silicon photoelectrochemical tandem devices for solar water splitting; Journal of Materials Chemistry A; Vol. 3; No. 8; 4155-4162; 10.1039/C4TA05523C
• Sun, Ke; McDowell, Matthew T.; et al. (2015) Stable Solar-Driven Water Oxidation to O_2(g) by Ni-Oxide-Coated Silicon Photoanodes; Journal of Physical Chemistry Letters; Vol. 6; No. 4; 592-598; 10.1021/jz5026195
• Shinde, Aniketa; Guevarra, Dan; et al. (2015) Identification of optimal solar fuel electrocatalysts via high throughput in situ optical measurements; Journal of Materials Research; Vol. 30; No. 3; 442-450; 10.1557/jmr.2014.296
• Sundararaman, Ravishankar and Goddard, William A., III (2015) The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model; Journal of Chemical Physics; Vol. 142; No. 6; Art. No. 064107; 10.1063/1.4907731
• Berweger, Samuel; Weber, Joel C.; et al. (2015) Microwave Near-Field Imaging of Two-Dimensional Semiconductors; Nano Letters; Vol. 15; No. 2; 1122-1127; 10.1021/nl504960u
• Walczak, Karl; Chen, Yikai; et al. (2015) Modeling, Simulation, and Fabrication of a Fully Integrated, Acid-stable, Scalable Solar-Driven Water-Splitting System; ChemSusChem; Vol. 8; No. 3; 544-551; 10.1002/cssc.201402896
• Jones, Ryan J. R.; Shinde, Aniketa; et al. (2015) Parallel Electrochemical Treatment System and Application for Identifying Acid-Stable Oxygen Evolution Electrocatalysts; ACS Combinatorial Science; Vol. 17; No. 2; 71-75; 10.1021/co500148p
• Pesenson, Misha Z.; Suram, Santosh K.; et al. (2015) Statistical Analysis and Interpolation of Compositional Data in Materials Science; ACS Combinatorial Science; Vol. 17; No. 2; 130-136; 10.1021/co5001458
• Grzanna, J. and Lewerenz, H. J. (2015) Oscillations at the Si/electrolyte contact: Relation to Quantum Mechanics; Journal of Physics: Conference Series; Vol. 574; No. 1; Art. No. 012024; 10.1088/1742-6596/574/1/012024
• Nielander, Adam C.; Shaner, Matthew R.; et al. (2015) A taxonomy for solar fuels generators; Energy and Environmental Science; Vol. 8; No. 1; 16-25; 10.1039/c4ee02251c
• Shaner, Matthew R.; Hu, Shu; et al. (2015) Stabilization of Si microwire arrays for solar-driven H₂O oxidation to O₂(g) in 1.0 M KOH(aq) using conformal coatings of amorphous TiO₂; Energy and Environmental Science; Vol. 8; No. 1; 203-207; 10.1039/c4ee03012e
• Soriaga, Manuel P.; Baricuatro, Jack H.; et al. (2015) Electrochemical surface science twenty years later: Expeditions into the electrocatalysis of reactions at the core of artificial photosynthesis; Surface Science; Vol. 631; 285-294; 10.1016/j.susc.2014.06.028
• Yang, Xiaogang; Liu, Rui; et al. (2015) Enabling practical electrocatalyst-assisted photoelectrochemical water splitting with earth abundant materials; Nano Research; Vol. 8; No. 1; 56-81; 10.1007/s12274-014-0645-2
• Mitrovic, Slobodan; Cornell, Earl W.; et al. (2015) High-throughput on-the-fly scanning ultraviolet-visible dual-sphere spectrometer; Review of Scientific Instruments; Vol. 86; No. 1; Art. No. 013904; 10.1063/1.4905365
• Kim, Youn-Geun; Baricuatro, Jack Hess; et al. (2014) The Evolution of the Polycrystalline Copper Surface, First to Cu(111) and Then to Cu(100), at a Fixed CO_2RR Potential: A Study by Operando EC-STM; Langmuir; Vol. 30; No. 50; 15053-15056; 10.1021/la504445g
• Saadi, Fadl H.; Carim, Azhar I.; et al. (2014) CoP as an Acid-Stable Active Electrocatalyst for the Hydrogen-Evolution Reaction: Electrochemical Synthesis, Interfacial Characterization and Performance Evaluation; Journal of Physical Chemistry C; Vol. 118; No. 50; 29294-29300; 10.1021/jp5054452
• Sundararaman, Ravishankar; Narang, Prineha; et al. (2014) Theoretical predictions for hot-carrier generation from surface plasmon decay; Nature Communications; Vol. 5; Art. No. 5788; PMCID PMC4284641; 10.1038/ncomms6788
• Laga, Stephanie M.; Blakemore, James D.; et al. (2014) Catalysis of Proton Reduction by a [BO_4]-Bridged Dicobalt Glyoxime; Inorganic Chemistry; Vol. 53; No. 24; 12668-12670; 10.1021/ic501804h
• Shaffer, David W.; Johnson, Samantha I.; et al. (2014) Reactivity of a Series of Isostructural Cobalt Pincer Complexes with CO_2, CO, and H^+; Inorganic Chemistry; Vol. 53; No. 24; 13031-13041; 10.1021/ic5021725
• Bruce, Jared P.; Asgari, Sommayeh; et al. (2014) Measurement of the Electrical Resistance of n-Type Si Microwire/p-Type Conducting Polymer Junctions for Use in Artificial Photosynthesis; Journal of Physical Chemistry C; Vol. 118; No. 48; 27742-27748; 10.1021/jp509211k
• Lewerenz, Hans J. (2014) Semiconductor Surface Transformations for Photoelectrochemical Energy Conversion; Journal of the Electrochemical Society; Vol. 161; No. 13; H3117-H3129; 10.1149/2.0211413jes
• Kim, Youn-Geun and Soriaga, Manuel P. (2014) Cathodic regeneration of a clean and ordered Cu(100)-(1×1) surface from an air-oxidized and disordered electrode: An operando STM study; Journal of Electroanalytical Chemistry; Vol. 734; 7-9; 10.1016/j.jelechem.2014.09.010
• Gregoire, J. M.; Van Campen, D. G.; et al. (2014) High-throughput synchrotron X-ray diffraction for combinatorial phase mapping; Journal of Synchrotron Radiation; Vol. 21; No. 6; 1262-1268; 10.1107/S1600577514016488
• McDonald, Michael B.; Ardo, Shane; et al. (2014) Use of Bipolar Membranes for Maintaining Steady-State pH Gradients in Membrane-Supported, Solar-Driven Water Splitting; ChemSusChem; Vol. 7; No. 11; 3021-3027; 10.1002/cssc.201402288
• Fountaine, Katherine T.; Lewerenz, Hans J.; et al. (2014) Interplay of light transmission and catalytic exchange current in photoelectrochemical systems; Applied Physics Letters; Vol. 105; No. 17; Art. No. 173901; 10.1063/1.4900612
• Javier, Alnald; Li, Ding; et al. (2014) C–H activation and metalation at electrode surfaces: 2,3-dimethyl-1,4-dihydroxybenzene on Pd(pc) and Pd(111) studied by TLE, HREELS and DFT; Dalton Transactions; Vol. 43; No. 39; 14798-14805; 10.1039/c4dt02137a
• Haber, Joel A.; Guevarra, Dan; et al. (2014) Discovery of New Oxygen Evolution Reaction Electrocatalysts by Combinatorial Investigation of the Ni–La–Co–Ce Oxide Composition Space; ChemElectroChem; Vol. 1; No. 10; 1613-1617; 10.1002/celc.201402149
• Jin, Jian; Walczak, Karl; et al. (2014) An experimental and modeling/simulation-based evaluation of the efficiency and operational performance characteristics of an integrated, membrane-free, neutral pH solar-driven water-splitting system; Energy and Environmental Science; Vol. 7; No. 10; 3371-3380; 10.1039/c4ee01824a
• Han, Lihao; Abdi, Fatwa F.; et al. (2014) Efficient Water-Splitting Device Based on a Bismuth Vanadate Photoanode and Thin-Film Silicon Solar Cells; ChemSusChem; Vol. 7; No. 10; 2832-2838; 10.1002/cssc.201402456
• Pala, Ragip A.; Leenheer, Andrew J.; et al. (2014) Measurement of minority-carrier diffusion lengths using wedge-shaped semiconductor photoelectrodes; Energy and Environmental Science; Vol. 7; No. 10; 3424-3430; 10.1039/C4EE01580K
• Lichterman, Michael F.; Carim, Azhar I.; et al. (2014) Stabilization of n-cadmium telluride photoanodes for water oxidation to O_2(g) in aqueous alkaline electrolytes using amorphous TiO_2 films formed by atomic-layer deposition; Energy and Environmental Science; Vol. 7; No. 10; 3334-3337; 10.1039/C4EE01914H
• Huang, Zhuangqun; McKone, James R.; et al. (2014) Comparison between the measured and modeled hydrogen-evolution activity of Ni- or Pt-coated silicon photocathodes; International Journal of Hydrogen Energy; Vol. 39; No. 28; 16220-16226; 10.1016/j.ijhydene.2013.12.162
• Carim, Azhar I.; Saadi, Fadl H.; et al. (2014) Electrocatalysis of the hydrogen-evolution reaction by electrodeposited amorphous cobalt selenide films; Journal of Materials Chemistry A; Vol. 2; No. 34; 13835-13839; 10.1039/C4TA02611J
• Calvet, Wolfram; Lewerenz, Hans-Joachim; et al. (2014) Model experiments on growth modes and interface electronics of CuInS_2: Ultrathin epitaxial films on GaAs(100) substrates; Physica Status Solidi A; Vol. 211; No. 9; 1981-1990; 10.1002/pssa.201330429
• Saadi, Fadl H.; Carim, Azhar I.; et al. (2014) Operando Synthesis of Macroporous Molybdenum Diselenide Films for Electrocatalysis of the Hydrogen-Evolution Reaction; ACS Catalysis; Vol. 4; No. 9; 2866-2873
• McDowell, Matthew T.; Lichterman, Michael F.; et al. (2014) Improved Stability of Polycrystalline Bismuth Vanadate Photoanodes by Use of Dual-Layer Thin TiO_2/Ni Coatings; Journal of Physical Chemistry C; Vol. 118; No. 34; 19618-19624; 10.1021/jp506133y
• May, Matthias M.; Lewerenz, Hans-Joachim; et al. (2014) Optical in Situ Study of InP(100) Surface Chemistry: Dissociative Adsorption of Water and Oxygen; Journal of Physical Chemistry C; Vol. 118; No. 33; 19032-19041; 10.1021/jp502955m
• Chen, Yikai; Xiang, Chengxiang; et al. (2014) Modeling the Performance of an Integrated Photoelectrolysis System with 10× Solar Concentrators; Journal of the Electrochemical Society; Vol. 161; No. 10; F1101-F1110; 10.1149/2.0751410jes
• Baricuatro, Jack H.; Kim, Youn-Geun; et al. (2014) Heterogenization of a Water-Insoluble Molecular Complex for Catalysis of the Proton-Reduction Reaction in Highly Acidic Aqueous Solutions; Electrocatalysis; Vol. 5; No. 3; 226-228; 10.1007/s12678-014-0200-7
• Lloyd, John V.; Kosten, Emily D.; et al. (2014) Ray trace optimization of a light trapping filtered concentrator for spectrum splitting photovoltaics; ISBN 978-1-4799-4398-2; IEEE 40th Photovoltaic Specialist Conference (PVSC); IEEE: Piscataway, NJ; 2249-2252; 10.1109/PVSC.2014.6925373
• Hu, Shu; Shaner, Matthew R.; et al. (2014) Amorphous TiO_2 coatings stabilize Si, GaAs, and GaP photoanodes for efficient water oxidation; Science; Vol. 344; No. 6187; 1005-1009; 10.1126/science.1251428
• Liu, Rui; Spurgeon, Joshua; et al. (2014) Enhanced photoelectrochemical water-splitting performance of semiconductors by surface passivation layers; Energy and Environmental Science; Vol. 2014; No. 7; 2504-2517; 10.1039/C4EE00450G
• Lacy, David C.; McCrory, Charles C. L.; et al. (2014) Studies of Cobalt-Mediated Electrocatalytic CO_2 Reduction Using a Redox-Active Ligand; Inorganic Chemistry; Vol. 53; No. 10; 4980-4988; PMCID PMC4033636; 10.1021/ic403122j
• Hsieh, Chung-Hung; Ding, Shengda; et al. (2014) Redox active iron nitrosyl units in proton reduction electrocatalysis; Nature Communications; Vol. 5; Art. No. 3684; 10.1038/ncomms4684
• Leenheer, Andrew J.; Narang, Prineha; et al. (2014) Solar energy conversion via hot electron internal photoemission in metallic nanostructure: Efficiency estimates; Journal of Applied Physics; Vol. 115; No. 13; Art. No. 134301; 10.1063/1.4870040
• Huang, Zhuangqun; Xiang, Chengxiang; et al. (2014) Two stories from the ISACS 12 conference: solar-fuel devices and catalyst identification; Energy and Environmental Science; Vol. 7; No. 4; 1207-1211; 10.1039/c3ee90043f
• Supplie, Oliver; May, Matthias M.; et al. (2014) Materials for light-induced water splitting: In situ controlled surface preparation of GaPN epilayers grown lattice-matched on Si(100); Journal of Applied Physics; Vol. 116; No. 11; Art. No. 113509; 10.1063/1.4869121
• Haber, Joel A.; Xiang, Chengxiang; et al. (2014) High-Throughput Mapping of the Electrochemical Properties of (Ni-Fe-Co-Ce)O_x Oxygen-Evolution Catalysts; ChemElectroChem; Vol. 1; No. 3; 524-528; 10.1002/celc.201300229
• Xiang, Chengxiang; Haber, Joel; et al. (2014) Mapping Quantum Yield for (Fe−Zn−Sn−Ti)O_x Photoabsorbers Using a High Throughput Photoelectrochemical Screening System; ACS Combinatorial Science; Vol. 16; No. 3; 120-127; 10.1021/co400081w
• Chmielowiec, Brian; Saadi, Fadl H.; et al. (2014) Molecular catalysis that transpires only when the complex is heterogenized: Studies of a hydrogenase complex surface-tethered on polycrystalline and (1 1 1)-faceted gold by EC, PM-FT-IRRAS, HREELS, XPS and STM; Journal of Electroanalytical Chemistry; Vol. 716; 63-70; 10.1016/j.jelechem.2013.12.025
• Baricuatro, Jack H.; Ehlers, Charles B.; et al. (2014) Structure and composition of Cu(hkl) surfaces exposed to O_2 and emersed from alkaline solutions: Prelude to UHV-EC studies of CO_2 reduction at well-defined copper catalysts; Journal of Electroanalytical Chemistry; Vol. 716; 101-105; 10.1016/j.jelechem.2013.10.001
• Velazquez, Jesus M.; Saadi, Fadl H.; et al. (2014) Synthesis and hydrogen-evolution activity of tungsten selenide thin films deposited on tungsten foils; Journal of Electroanalytical Chemistry; Vol. 716; 45-48; 10.1016/j.jelechem.2013.11.030
• Haber, Joel A.; Jung, Suho; et al. (2014) Discovering Ce-rich oxygen evolution catalysts, from high throughput screening to water electrolysis
• Narang, Prineha; Chen, Shiyou; et al. (2014) Bandgap Tunability in Zn(Sn,Ge)N_2 Semiconductor Alloys; Advanced Materials; Vol. 26; No. 8; 1235-1241; 10.1002/adma.201304473
• Haber, Joel A.; Cai, Yun; et al. (2014) Discovering Ce-rich oxygen evolution catalysts, from high throughput screening to water electrolysis; Energy and Environmental Science; Vol. 7; No. 2; 682-688; 10.1039/C3EE43683G
• Xiang, Chengxiang; Suram, Santosh K.; et al. (2014) High-Throughput Bubble Screening Method for Combinatorial Discovery of Electrocatalysts for Water Splitting; ACS Combinatorial Science; Vol. 16; No. 2; 47-52; 10.1021/co400151h
• Shaner, Matthew R.; Fountaine, Katherine T.; et al. (2014) Photoelectrochemistry of core–shell tandem junction n–p^+-Si/n-WO_3 microwire array photoelectrodes; Energy and Environmental Science; Vol. 7; No. 2; 779-790; 10.1039/C3EE43048K
• Warren, Emily L.; Atwater, Harry A.; et al. (2014) Silicon Microwire Arrays for Solar Energy-Conversion Applications; Journal of Physical Chemistry C; Vol. 118; No. 2; 747-759; 10.1021/jp406280x
• Chen, Shiyou; Narang, Prineha; et al. (2014) Phase Stability and Defect Physics of a Ternary ZnSnN_2 Semiconductor: First Principles Insights; Advanced Materials; Vol. 26; No. 2; 311-315; 10.1002/adma.201302727
• McKone, James R.; Lewis, Nathan S.; et al. (2014) Will Solar-Driven Water-Splitting Devices See the Light of Day?; Chemistry of Materials; Vol. 26; No. 1; 407-414; 10.1021/cm4021518
• Spurgeon, Joshua M.; Velazquez, Jesus M.; et al. (2014) Improving O₂ production of WO₃ photoanodes with IrO₂ in acidic aqueous electrolyte; Physical Chemistry Chemical Physics; Vol. 16; No. 8; 3623-3631; 10.1039/c3cp55527e
• Gregoire, J. M.; Haber, J. A.; et al. (2014) Enabling Solar Fuels Technology With High Throughput Experimentation; MRS Proceedings; Vol. 1654; Art. No. opl.2014.29; 10.1557/opl.2014.29
• Sanabria-Chinchilla, Jean; Javier, Alnald; et al. (2014) Immobilization-Enabled Proton Reduction Catalysis by a Di-iron Hydrogenase Mimic; Electrocatalysis; Vol. 5; No. 1; 5-7; 10.1007/s12678-013-0157-y
• Lichterman, Michael F.; Shaner, Matthew R.; et al. (2013) Enhanced Stability and Activity for Water Oxidation in Alkaline Media with Bismuth Vanadate Photoelectrodes Modified with a Cobalt Oxide Catalytic Layer Produced by Atomic Layer Deposition; Journal of Physical Chemistry Letters; Vol. 4; No. 23; 4188-4191; 10.1021/jz4022415
• Haussener, Sophia; Hu, Shu; et al. (2013) Simulations of the irradiation and temperature dependence of the efficiency of tandem photoelectrochemical water-splitting systems; Energy and Environmental Science; Vol. 6; No. 12; 3605-3618; 10.1039/c3ee41302k
• McCrory, Charles C. L.; Jung, Suho; et al. (2013) Benchmarking Heterogeneous Electrocatalysts for the Oxygen Evolution Reaction; Journal of the American Chemical Society; Vol. 135; No. 45; 16977-16987; 10.1021/ja407115p
• Lin, Tzu-Pin and Peters, Jonas C. (2013) Boryl-Mediated Reversible H_2 Activation at Cobalt: Catalytic Hydrogenation, Dehydrogenation, and Transfer Hydrogenation; Journal of the American Chemical Society; Vol. 135; No. 41; 15310-15313; 10.1021/ja408397v
• May, Matthias M.; Supplie, Oliver; et al. (2013) The interface of GaP(100) and H_2O studied by photoemission and reflection anisotropy spectroscopy; New Journal of Physics; Vol. 15; No. 10; Art. No. 103003; 10.1088/1367-2630/15/10/103003
• Hu, Shu; Xiang, Chengxiang; et al. (2013) An analysis of the optimal band gaps of light absorbers in integrated tandem photoelectrochemical water-splitting systems; Energy and Environmental Science; Vol. 6; No. 10; 2984-2993; 10.1039/c3ee40453f
• Shaner, Matthew R.; Fountaine, Katherine T.; et al. (2013) Current-voltage characteristics of coupled photodiode-electrocatalyst devices; Applied Physics Letters; Vol. 103; No. 14; Art. No. 143905; 10.1063/1.4822179
• May, Matthias M.; Supplie, Oliver; et al. (2013) Water-induced modifications of GaP(100) and InP(100) surfaces studied by photoelectron spectroscopy and reflection anisotropy spectroscopy; ISBN 9780819496720; Solar Hydrogen and Nanotechnology VIII; Society of Photo-Optical Instrumentation Engineers (SPIE): Bellingham, WA; Art. No. 88220M; 10.1117/12.2026172
• Haussener, Sophia; Hu, Shu; et al. (2013) Simulations of the Irradiation and Temperature Dependence of the Efficiency of Tandem Photoelectrochemical Water-splitting Systems; ECS Transactions; Vol. 58; No. 2; 293-303; 10.1149/05802.0293ecst
• Letilly, Marika; Skorupska, Katarzyna; et al. (2013) Initial Phase of Photoelectrochemical Conditioning of Silicon in Alkaline Media: Surface Chemistry and Topography; Journal of Physical Chemistry C; Vol. 117; No. 32; 16381-16391; 10.1021/jp401853p
• Xiao, Kechao; Gregoire, John M.; et al. (2013) Scanning AC nanocalorimetry combined with in-situ x-ray diffraction; Journal of Applied Physics; Vol. 113; No. 24; Art. No. 243501; PMCID PMC3676369; 10.1063/1.4811686
• Gregoire, J. M.; Xiang, C.; et al. (2013) Combined Catalysis and Optical Screening for High Throughput Discovery of Solar Fuels Catalysts; ECS Transactions; Vol. 50; No. 49; 9-20; 10.1149/05049.0009ecst
• Sanabria-Chinchilla, Jean; Chen, Xiaole; et al. (2013) Chemisorption-Isotherm Measurements at Electrode Surfaces by Quantitative High-Resolution Electron Energy Loss Spectroscopy; Electrocatalysis; Vol. 4; No. 2; 101-103; 10.1007/s12678-013-0125-6
• Hu, Shu; Chi, Chun-Yung; et al. (2013) Optical, electrical, and solar energy-conversion properties of gallium arsenide nanowire-array photoanodes; Energy and Environmental Science; Vol. 6; No. 6; 1879-1890; 10.1039/c3ee40243f
• Chi, Chun-Yung; Chang, Chia-Chi; et al. (2013) Twin-Free GaAs Nanosheets by Selective Area Growth: Implications for Defect-Free Nanostructures; Nano Letters; Vol. 13; No. 6; 2506-2515; 10.1021/nl400561j
• Gregoire, John M.; Xiao, Kechao; et al. (2013) In-situ X-ray diffraction combined with scanning AC nanocalorimetry applied to a Fe_(0.84)Ni_(0.16) thin-film sample; Applied Physics Letters; Vol. 102; No. 20; Art. No. 201902; PMCID PMC3676369; 10.1063/1.4806972
• Coridan, Robert H.; Shaner, Matthew; et al. (2013) Electrical and Photoelectrochemical Properties of WO_3/Si Tandem Photoelectrodes; Journal of Physical Chemistry C; Vol. 117; No. 14; 6949-6957; 10.1021/jp311947x
• Muñoz, A. G.; Heine, C.; et al. (2013) Photoelectrochemical Conditioning of MOVPE p-InP Films for Light-Induced Hydrogen Evolution: Chemical, Electronic and Optical Properties; ECS Journal of Solid State Science and Technology; Vol. 2; No. 4; Q51-Q58; 10.1149/2.016304jss
• Baricuatro, Jack H.; Soto, José C.; et al. (2013) High-resolution electron energy loss spectroscopy of anions chemisorbed on electrode surfaces: The effect of counter cations; Electrochemistry Communications; Vol. 27; 176-179; 10.1016/j.elecom.2012.11.005
• Gregoire, John M.; Xiang, Chengxiang; et al. (2013) Scanning droplet cell for high throughput electrochemical and photoelectrochemical measurements; Review of Scientific Instruments; Vol. 84; No. 2; Art. No. 024102; 10.1063/1.4790419
• Gregoire, J. M.; Xiang, C.; et al. (2013) Combined Catalysis and Optical Screening for High Throughput Discovery of Solar Fuels Catalysts; Journal of the Electrochemical Society; Vol. 160; No. 4; F337-F342; 10.1149/2.035304jes
• McKone, James R.; Peiterick, Adam P.; et al. (2013) Hydrogen Evolution from Pt/Ru-Coated p-Type WSe_2 Photocathodes; Journal of the American Chemical Society; Vol. 135; No. 1; 223-231; 10.1021/ja308581g
• Lewerenz, Hans-Joachim and Peter, Laurence (2013) New Perspectives and a Review of Progress; ISBN 978-1-84973-647-3; Photoelectrochemical Water Splitting: Materials, Processes and Architectures; Royal Society of Chemistry: Cambridge; 419-449; 10.1039/9781849737739-00419
• Lewerenz, H. J. (2013) On the Structure of the Helmholtz Layer and its Implications on Electrode Kinetics; ECS Transactions; Vol. 50; No. 52; 3-20; 10.1149/05052.0003ecst
• McKone, James and Lewis, Nathan (2013) Structured Materials for Photoelectrochemical Water Splitting; ISBN 978-1-84973-647-3; Photoelectrochemical Water Splitting: Materials, Processes and Architectures; Royal Society of Chemistry: Cambridge; 52-82; 10.1039/9781849737739-00052
• Haussener, Sophia; Xiang, Chengxiang; et al. (2012) Modeling, simulation, and design criteria for photoelectrochemical water-splitting systems; Energy and Environmental Science; Vol. 5; No. 12; 9922-9935; 10.1039/c2ee23187e
• Xiang, Chengxiang; Meng, Andrew C.; et al. (2012) Evaluation and optimization of mass transport of redox species in silicon microwire-array photoelectrodes; Proceedings of the National Academy of Sciences of the United States of America; Vol. 109; No. 39; 15622-15627; PMCID PMC3465373; 10.1073/pnas.1118338109
• Jeon, Seokmin; Kim, Hyungjun; et al. (2012) DFT Study of Water Adsorption and Decomposition on a Ga-Rich GaP(001)(2×4) Surface; Journal of Physical Chemistry C; Vol. 116; No. 33; 17604-17612; 10.1021/jp3041555
• Manthiram, Karthish and Alivisatos, A. Paul (2012) Tunable Localized Surface Plasmon Resonances in Tungsten Oxide Nanocrystals; Journal of the American Chemical Society; Vol. 134; No. 9; 3995-3998; 10.1021/ja211363w