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
827 1998 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
671 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
647 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
647 2003 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
633 2002 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
556 2015 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
555 2020 Catalytic Role of Metal Oxides in Gold-Based Catalysts: A First Principles Study <?format ?>of CO Oxidation on ZP Liu, XQ Gong, J Kohanoff, C Sanchez, P Hu
Physical review letters 91 (26), 266102, 2003
521 2003 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
423 2017 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
408 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
396 2001 Synergy of Single-Atom Ni1 and Ru1 Sites on CeO2 for Dry Reforming of CH4 Y Tang, Y Wei, Z Wang, S Zhang, Y Li, L Nguyen, Y Li, Y Zhou, W Shen, ...
Journal of the American Chemical Society 141 (18), 7283-7293, 2019
336 2019 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
334 2015 A robust fuel cell operated on nearly dry methane at 500° C enabled by synergistic thermal catalysis and electrocatalysis Y Chen, B DeGlee, Y Tang, Z Wang, B Zhao, Y Wei, L Zhang, S Yoo, ...
Nature Energy 3 (12), 1042-1050, 2018
314 2018 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
308 2015 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
307 2004 Promoting Effects of In2 O3 on Co3 O4 for CO Oxidation: Tuning O2 Activation and CO Adsorption Strength Simultaneously Y Lou, J Ma, X Cao, L Wang, Q Dai, Z Zhao, Y Cai, W Zhan, Y Guo, P Hu, ...
Acs Catalysis 4 (11), 4143-4152, 2014
304 2014 Multiple configurations of the two excess HY Li, HF Wang, XQ Gong, YL Guo, Y Guo, G Lu, P Hu
Physical Review B—Condensed Matter and Materials Physics 79 (19), 193401, 2009
301 2009 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
295 2014 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
294 2006 