Peijun Hu
Peijun Hu
Professor, School of Chemistry and Chemical Engineering, Queen's University of Belfast
Verified email at - Homepage
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CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study
A Alavi, P Hu, T Deutsch, PL Silvestrelli, J Hutter
Physical Review Letters 80 (16), 3650, 1998
Catalytic role of gold in gold-based catalysts: A density functional theory study on the CO oxidation on gold
ZP Liu, P Hu, A Alavi
Journal of the American Chemical Society 124 (49), 14770-14779, 2002
General rules for predicting where a catalytic reaction should occur on metal surfaces: a density functional theory study of C− H and C− O bond breaking/making on flat, stepped …
ZP Liu, P Hu
Journal of the American Chemical Society 125 (7), 1958-1967, 2003
Oxygen reduction reaction mechanism on nitrogen-doped graphene: A density functional theory study
L Yu, X Pan, X Cao, P Hu, X Bao
Journal of Catalysis 282 (1), 183-190, 2011
Identification of general linear relationships between activation energies and enthalpy changes for dissociation reactions at surfaces
A Michaelides, ZP Liu, CJ Zhang, A Alavi, DA King, P Hu
Journal of the American Chemical Society 125 (13), 3704-3705, 2003
2D Monolayer MoS2–Carbon Interoverlapped Superstructure: Engineering Ideal Atomic Interface for Lithium Ion Storage
H Jiang, D Ren, H Wang, Y Hu, S Guo, H Yuan, P Hu, L Zhang, C Li
Advanced materials 27 (24), 3687-3695, 2015
Catalytic Role of Metal Oxides in Gold-Based Catalysts: A First Principles Study of CO Oxidation on Supported Au
ZP Liu, XQ Gong, J Kohanoff, C Sanchez, P Hu
Physical review letters 91 (26), 266102, 2003
Rational screening low-cost counter electrodes for dye-sensitized solar cells
Y Hou, D Wang, XH Yang, WQ Fang, B Zhang, HF Wang, GZ Lu, P Hu, ...
Nature communications 4 (1), 1583, 2013
Catalytic water formation on platinum: A first-principles study
A Michaelides, P Hu
Journal of the American Chemical Society 123 (18), 4235-4242, 2001
Phosphorus-Mo 2 C@ carbon nanowires toward efficient electrochemical hydrogen evolution: composition, structural and electronic regulation
Z Shi, K Nie, ZJ Shao, B Gao, H Lin, H Zhang, B Liu, Y Wang, Y Zhang, ...
Energy & Environmental Science 10 (5), 1262-1271, 2017
Iridium single-atom catalyst on nitrogen-doped carbon for formic acid oxidation synthesized using a general host–guest strategy
Z Li, Y Chen, S Ji, Y Tang, W Chen, A Li, J Zhao, Y Xiong, Y Wu, Y Gong, ...
Nature chemistry 12 (8), 764-772, 2020
A systematic study of CO oxidation on metals and metal oxides: density functional theory calculations
XQ Gong, ZP Liu, R Raval, P Hu
Journal of the American Chemical Society 126 (1), 8-9, 2004
Identifying an O2 Supply Pathway in CO Oxidation on Au/TiO2(110):  A Density Functional Theory Study on the Intrinsic Role of Water
LM Liu, B McAllister, HQ Ye, P Hu
Journal of the American Chemical Society 128 (12), 4017-4022, 2006
Local atomic structure modulations activate metal oxide as electrocatalyst for hydrogen evolution in acidic water
YH Li, PF Liu, LF Pan, HF Wang, ZZ Yang, LR Zheng, P Hu, HJ Zhao, ...
Nature communications 6 (1), 8064, 2015
Multiple configurations of the two excess electrons on defective : Origin and implications
HY Li, HF Wang, XQ Gong, YL Guo, Y Guo, G Lu, P Hu
Physical Review B 79 (19), 193401, 2009
CO oxidation on Pd (100) and Pd (111): A comparative study of reaction pathways and reactivity at low and medium coverages
CJ Zhang, P Hu
Journal of the American Chemical Society 123 (6), 1166-1172, 2001
DFT and in situ EXAFS investigation of gold/ceria− zirconia low-temperature water gas shift catalysts: identification of the nature of the active form of gold
D Tibiletti, A Amieiro-Fonseca, R Burch, Y Chen, JM Fisher, A Goguet, ...
The Journal of Physical Chemistry B 109 (47), 22553-22559, 2005
Understanding complete oxidation of methane on spinel oxides at a molecular level
FF Tao, J Shan, L Nguyen, Z Wang, S Zhang, L Zhang, Z Wu, W Huang, ...
Nature communications 6 (1), 7798, 2015
General trends in CO dissociation on transition metal surfaces
ZP Liu, P Hu
The Journal of Chemical Physics 114 (19), 8244-8247, 2001
Activity and coke formation of nickel and nickel carbide in dry reforming: a deactivation scheme from density functional theory
Z Wang, XM Cao, J Zhu, P Hu
Journal of catalysis 311, 469-480, 2014
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