| 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 | 790 | 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 | 639 | 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 | 622 | 2011 |
| 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 | 620 | 2002 |
| 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 | 606 | 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 | 532 | 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 | 498 | 2003 |
| 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 | 461 | 2020 |
| 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 | 395 | 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 | 392 | 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 | 388 | 2017 |
| 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 | 306 | 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 | 296 | 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 | 288 | 2006 |
| 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 | 277 | 2019 |
| 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 | 275 | 2009 |
| 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 | 274 | 2015 |
| 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 | 270 | 2014 |
| Promoting Effects of In2O3 on Co3O4 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 | 267 | 2014 |
| 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 | 261 | 2001 |
