| Direct observation of noble metal nanoparticles transforming to thermally stable single atoms S Wei, A Li, JC Liu, Z Li, W Chen, Y Gong, Q Zhang, WC Cheong, Y Wang, ... Nature Nanotechnology 13 (9), 856-861, 2018 | 938 | 2018 |
| Copper atom-pair catalyst anchored on alloy nanowires for selective and efficient electrochemical reduction of CO 2 J Jiao, R Lin, S Liu, WC Cheong, C Zhang, Z Chen, Y Pan, J Tang, K Wu, ... Nature Chemistry 11 (3), 222-228, 2019 | 681 | 2019 |
| Fe Isolated Single Atoms on S, N Codoped Carbon by Copolymer Pyrolysis Strategy for Highly Efficient Oxygen Reduction Reaction Q Li, W Chen, H Xiao, Y Gong, Z Li, L Zheng, X Zheng, W Yan, ... Advanced Materials 30 (25), 1800588, 2018 | 672 | 2018 |
| Accurate Band Gaps for Semiconductors from Density Functional Theory H Xiao, J Tahir-Kheli, WA Goddard III The Journal of Physical Chemistry Letters 2 (3), 212-217, 2011 | 629 | 2011 |
| Heterogeneous Fe 3 single-cluster catalyst for ammonia synthesis via an associative mechanism JC Liu, XL Ma, Y Li, YG Wang, H Xiao, J Li Nature Communications 9, 1610, 2018 | 586 | 2018 |
| Full atomistic reaction mechanism with kinetics for CO reduction on Cu (100) from ab initio molecular dynamics free-energy calculations at 298 K T Cheng, H Xiao, WA Goddard III Proceedings of the National Academy of Sciences 114 (8), 1795-1800, 2017 | 561 | 2017 |
| Schottky-barrier-free contacts with two-dimensional semiconductors by surface-engineered MXenes Y Liu, H Xiao, WA Goddard III Journal of the American Chemical Society 138 (49), 15853-15856, 2016 | 561 | 2016 |
| Cu metal embedded in oxidized matrix catalyst to promote CO2 activation and CO dimerization for electrochemical reduction of CO2 H Xiao, WA Goddard, T Cheng, Y Liu Proceedings of the National Academy of Sciences 114 (26), 6685-6688, 2017 | 551 | 2017 |
| Theoretical Understandings of Graphene-based Metal Single-Atom Catalysts: Stability and Catalytic Performance HY Zhuo, X Zhang, JX Liang, Q Yu, H Xiao, J Li Chemical Reviews 120 (21), 12315-12341, 2020 | 495 | 2020 |
| Subsurface oxide plays a critical role in CO2 activation by Cu (111) surfaces to form chemisorbed CO2, the first step in reduction of CO2 M Favaro, H Xiao, T Cheng, WA Goddard, J Yano, EJ Crumlin Proceedings of the National Academy of Sciences 114 (26), 6706-6711, 2017 | 482 | 2017 |
| Mechanistic explanation of the pH dependence and onset potentials for hydrocarbon products from electrochemical reduction of CO on Cu (111) H Xiao, T Cheng, WA Goddard III, R Sundararaman Journal of the American Chemical Society 138 (2), 483-486, 2016 | 482 | 2016 |
| Synergy between Fe and Ni in the optimal performance of (Ni, Fe) OOH catalysts for the oxygen evolution reaction H Xiao, H Shin, WA Goddard III Proceedings of the National Academy of Sciences 115 (23), 5872-5877, 2018 | 464 | 2018 |
| Breaking Long-Range Order in Iridium Oxide by Alkali Ion for Efficient Water Oxidation J Gao, CQ Xu, SF Hung, W Liu, W Cai, Z Zeng, C Jia, HM Chen, H Xiao, ... Journal of the American Chemical Society 141 (7), 3014-3023, 2019 | 428 | 2019 |
| 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 T Cheng, H Xiao, WA Goddard III Journal of the American Chemical Society 138 (42), 13802-13805, 2016 | 417 | 2016 |
| Monolayer atomic crystal molecular superlattices C Wang, Q He, U Halim, Y Liu, E Zhu, Z Lin, H Xiao, X Duan, Z Feng, ... Nature 555 (7695), 231-236, 2018 | 412 | 2018 |
| Atomistic Mechanisms Underlying Selectivities in C_1 and C_2 Products from Electrochemical Reduction of CO on Cu (111) H Xiao, T Cheng, WA Goddard III Journal of the American Chemical Society 139 (1), 130-136, 2017 | 407 | 2017 |
| Constructing NiCo/Fe3O4 Heteroparticles within MOF-74 for Efficient Oxygen Evolution Reactions X Wang, H Xiao, A Li, Z Li, S Liu, Q Zhang, Y Gong, L Zheng, Y Zhu, ... Journal of the American Chemical Society 140 (45), 15336-15341, 2018 | 360 | 2018 |
| Three-dimensional open nano-netcage electrocatalysts for efficient pH-universal overall water splitting Z Zhuang, Y Wang, CQ Xu, S Liu, C Chen, Q Peng, Z Zhuang, H Xiao, ... Nature Communications 10, 4875, 2019 | 322 | 2019 |
| In Silico Discovery of New Dopants for Fe-Doped Ni Oxyhydroxide (Ni1–xFexOOH) Catalysts for Oxygen Evolution Reaction H Shin, H Xiao, WA Goddard III Journal of the American Chemical Society 140 (22), 6745-6748, 2018 | 317 | 2018 |
| Identification of the Electronic and Structural Dynamics of Catalytic Centers in Single-Fe-Atom Material X Li, CS Cao, SF Hung, YR Lu, W Cai, AI Rykov, S Miao, S Xi, H Yang, ... Chem 6 (12), 3440-3454, 2020 | 295 | 2020 |
William A Goddard IIIProfessor Chemistry, Materials Science, Applied PhysicsVerified email at caltech.edu
