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Hai Xiao (肖 海)
Hai Xiao (肖 海)
Associate Professor of Chemistry, Tsinghua University
Verified email at tsinghua.edu.cn - Homepage
Title
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Cited by
Year
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
7882018
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
6032018
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
5662019
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
5412011
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
4832017
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
4732016
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
4682018
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
4452017
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
4262016
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
4152017
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
3982018
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
3712020
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
3582017
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
3532018
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
3522016
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
3422019
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
3192018
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
2792018
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
2632019
Surface Single-Cluster Catalyst for N2-to-NH3 Thermal Conversion
XL Ma, JC Liu, H Xiao, J Li
Journal of the American Chemical Society 140 (1), 46-49, 2018
2462018
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