JCAP

Articles 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 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
• 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
• 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
• 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
• 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
• 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
• 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
• 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
• 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
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