Fortunelli, Alessandro
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- Fuller, Jon and Fortunelli, Alessandro, el al. (2019) Reaction mechanism and kinetics for ammonia synthesis on the Fe(211) reconstructed surface; Physical Chemistry Chemical Physics; Vol. 21; No. 21; 11444-11454; 10.1039/c9cp01611b
- Qian, Jin and Fortunelli, Alessandro, el al. (2019) Effect of Co doping on mechanism and kinetics of ammonia synthesis on Fe(1 1 1) surface; Journal of Catalysis; Vol. 370; 364-371; 10.1016/j.jcat.2019.01.001
- An, Qi and Shen, Yidi, el al. (2018) QM-Mechanism-Based Hierarchical High-Throughput in silico Screening Catalyst Design for Ammonia Synthesis; Journal of the American Chemical Society; Vol. 140; No. 50; 17702-17710; 10.1021/jacs.8b10499
- Qian, Jin and An, Qi, el al. (2018) Reaction mechanism and kinetics for ammonia synthesis on the Fe(111) Surface; Journal of the American Chemical Society; Vol. 140; No. 20; 6288-6297; 10.1021/jacs.7b13409
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- Negreiros, Fabio R. and Halder, Avik, el al. (2018) Bimetallic Ag-Pt Sub-nanometer Supported Clusters as Highly Efficient and Robust Oxidation Catalysts; Angewandte Chemie International Edition; Vol. 57; No. 5; 1209-1213; 10.1002/anie.201709784
- Yin, Chunrong and Negreiros, Fabio R., el al. (2017) Alumina-supported sub-nanometer Pt_(10) clusters: amorphization and role of the support material in a highly active CO oxidation catalyst; Journal of Materials Chemistry A; Vol. 5; No. 10; 4923-4931; 10.1039/C6TA10989F
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- Heyden, S. and Ortiz, M., el al. (2016) All-atom molecular dynamics simulations of multiphase segregated polyurea under quasistatic, adiabatic, uniaxial compression; Polymer; Vol. 106; 100-108; 10.1016/j.polymer.2016.10.053
- Sementa, Luca and Andreussi, Oliviero, el al. (2016) Catalytic activity of Pt_(38) in the oxygen reduction reaction from first-principles simulations; Catalysis Science and Technology; Vol. 2016; No. 18; 6901-6909; 10.1039/C6CY00750C
- Fortunelli, Alessandro and Vajda, Stefan (2016) Editorial: Nanocatalysis; Catalysis Science and Technology; Vol. 6; No. 18; 6763-6765; 10.1039/c6cy90085b
- An, Qi and Qian, Jin, el al. (2016) The quantum mechanics derived atomistic mechanism underlying the acceleration of catalytic CO oxidation on Pt(110) by surface acoustic waves; Journal of Materials Chemistry A; Vol. 2016; No. 31; 12036-12045; 10.1039/C6TA03669D
- Fortunelli, Alessandro and Goddard, William A., III, el al. (2015) Optimizing the oxygen evolution reaction for electrochemical water oxidation by tuning solvent properties; Nanoscale; Vol. 7; No. 10; 4514-4521; 10.1039/c4nr07277d
- Sementa, Luca and Barcaro, Giovanni, el al. (2014) Ligand/cluster/support catalytic complexes in heterogeneous ultrananocatalysis: NO oxidation on Ag_3/MgO(100); Physical Chemistry Chemical Physics; Vol. 16; No. 48; 26570-26577; 10.1039/c4cp02135e
- Fortunelli, Alessandro and Goddard, William A., III, el al. (2014) Dramatic Increase in the Oxygen Reduction Reaction for Platinum Cathodes from Tuning the Solvent Dielectric Constant; Angewandte Chemie International Edition; Vol. 53; No. 26; 6669-6672; 10.1002/anie.201403264
- Fortunelli, A. and Ortiz, M. (2007) Constitutive model for plasticity in an amorphous polycarbonate; Physical Review E; Vol. 76; No. 4; Art. No. 041806; 10.1103/PhysRevE.76.041806