Identification of highly active Fe sites in (Ni, Fe) OOH for electrocatalytic water splitting D Friebel, MW Louie, M Bajdich, KE Sanwald, Y Cai, AM Wise, MJ Cheng, ... Journal of the American Chemical Society 137 (3), 1305-1313, 2015 | 2287 | 2015 |
Homogeneously dispersed multimetal oxygen-evolving catalysts B Zhang, X Zheng, O Voznyy, R Comin, M Bajdich, M García-Melchor, ... Science 352 (6283), 333-337, 2016 | 2116 | 2016 |
Theoretical investigation of the activity of cobalt oxides for the electrochemical oxidation of water M Bajdich, M García-Mota, A Vojvodic, JK Nørskov, AT Bell Journal of the American chemical Society 135 (36), 13521-13530, 2013 | 1237 | 2013 |
Gold-supported cerium-doped NiOx catalysts for water oxidation JWD Ng, M García-Melchor, M Bajdich, P Chakthranont, C Kirk, ... Nature Energy 1 (5), 1-8, 2016 | 520 | 2016 |
Importance of correlation in determining electrocatalytic oxygen evolution activity on cobalt oxides M García-Mota, M Bajdich, V Viswanathan, A Vojvodic, AT Bell, ... The Journal of Physical Chemistry C 116 (39), 21077-21082, 2012 | 362 | 2012 |
Machine learning for computational heterogeneous catalysis P Schlexer Lamoureux, KT Winther, JA Garrido Torres, V Streibel, M Zhao, ... ChemCatChem 11 (16), 3581-3601, 2019 | 296 | 2019 |
Catalysis-Hub. org, an open electronic structure database for surface reactions KT Winther, MJ Hoffmann, JR Boes, O Mamun, M Bajdich, T Bligaard Scientific data 6 (1), 75, 2019 | 221 | 2019 |
Enhancing Catalytic CO Oxidation over Co3O4 Nanowires by Substituting Co2+ with Cu2+ M Zhou, L Cai, M Bajdich, M García-Melchor, H Li, J He, J Wilcox, W Wu, ... ACS Catalysis 5 (8), 4485-4491, 2015 | 209 | 2015 |
An electronic structure descriptor for oxygen reactivity at metal and metal-oxide surfaces CF Dickens, JH Montoya, AR Kulkarni, M Bajdich, JK Nørskov Surface Science 681, 122-129, 2019 | 186 | 2019 |
QWalk: A quantum Monte Carlo program for electronic structure LK Wagner, M Bajdich, L Mitas Journal of Computational Physics 228 (9), 3390-3404, 2009 | 185 | 2009 |
Pfaffian pairing wave functions in electronic-structure quantum Monte Carlo simulations M Bajdich, L Mitas, G Drobný, LK Wagner, KE Schmidt Physical review letters 96 (13), 130201, 2006 | 176 | 2006 |
Effects of redox-active interlayer anions on the oxygen evolution reactivity of NiFe-layered double hydroxide nanosheets D Zhou, Z Cai, Y Bi, W Tian, M Luo, Q Zhang, Q Zhang, Q Xie, J Wang, ... Nano Research 11, 1358-1368, 2018 | 158 | 2018 |
Identifying the Active Surfaces of Electrochemically Tuned LiCoO2 for Oxygen Evolution Reaction Z Lu, G Chen, Y Li, H Wang, J Xie, L Liao, C Liu, Y Liu, T Wu, Y Li, ... Journal of the American Chemical Society 139 (17), 6270-6276, 2017 | 155 | 2017 |
Pfaffian pairing and backflow wavefunctions for electronic structure quantum Monte Carlo methods M Bajdich, L Mitas, LK Wagner, KE Schmidt Physical Review B 77 (11), 115112, 2008 | 140 | 2008 |
Edge reactivity and water-assisted dissociation on cobalt oxide nanoislands J Fester, M García-Melchor, AS Walton, M Bajdich, Z Li, L Lammich, ... Nature Communications 8 (1), 14169, 2017 | 129 | 2017 |
Acidic oxygen evolution reaction activity–stability relationships in Ru-based pyrochlores MKA Hubert, AM Patel, A Gallo, Y Liu, E Valle, M Ben-Naim, J Sanchez, ... ACS Catalysis 10 (20), 12182-12196, 2020 | 127 | 2020 |
Tuning electrochemically driven surface transformation in atomically flat LaNiO3 thin films for enhanced water electrolysis C Baeumer, J Li, Q Lu, AYL Liang, L Jin, HP Martins, T Duchoň, M Glöß, ... Nature materials 20 (5), 674-682, 2021 | 123 | 2021 |
On the chemical state of Co oxide electrocatalysts during alkaline water splitting D Friebel, M Bajdich, BS Yeo, MW Louie, DJ Miller, HS Casalongue, ... Physical Chemistry Chemical Physics 15 (40), 17460-17467, 2013 | 110 | 2013 |
From electricity to fuels: descriptors for C1 selectivity in electrochemical CO2 reduction MT Tang, H Peng, PS Lamoureux, M Bajdich, F Abild-Pedersen Applied Catalysis B: Environmental 279, 119384, 2020 | 94 | 2020 |
Active learning accelerated discovery of stable iridium oxide polymorphs for the oxygen evolution reaction RA Flores, C Paolucci, KT Winther, A Jain, JAG Torres, M Aykol, ... Chemistry of Materials 32 (13), 5854-5863, 2020 | 94 | 2020 |