Observation of an all-boron fullerene HJ Zhai, YF Zhao, WL Li, Q Chen, H Bai, HS Hu, ZA Piazza, WJ Tian, ... Nature chemistry 6 (8), 727-731, 2014 | 842 | 2014 |
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 | 660 | 2003 |
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 | 630 | 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 | 629 | 2002 |
Mechanism and Tafel Lines of Electro-Oxidation of Water to Oxygen on RuO2(110) YH Fang, ZP Liu Journal of the American Chemical Society 132 (51), 18214-18222, 2010 | 570 | 2010 |
Catalytic Role of Metal Oxides in Gold-Based Catalysts: A First Principles Study of CO Oxidation on TiO~ 2 Supported Au ZP Liu, XQ Gong, J Kohanoff, C Sanchez, P Hu Physical review letters 91 (26; PART 1), 266102-266102, 2003 | 519 | 2003 |
Comprehensive mechanism and structure-sensitivity of ethanol oxidation on platinum: new transition-state searching method for resolving the complex reaction network HF Wang, ZP Liu Journal of the american chemical society 130 (33), 10996-11004, 2008 | 515 | 2008 |
In-situ reconstructed Ru atom array on α-MnO2 with enhanced performance for acidic water oxidation C Lin, JL Li, X Li, S Yang, W Luo, Y Zhang, SH Kim, DH Kim, SS Shinde, ... Nature Catalysis 4 (12), 1012-1023, 2021 | 487 | 2021 |
Tafel kinetics of electrocatalytic reactions: from experiment to first-principles YH Fang, ZP Liu ACS Catalysis 4 (12), 4364-4376, 2014 | 447 | 2014 |
Origin and activity of oxidized gold in water-gas-shift catalysis ZP Liu, SJ Jenkins, DA King Physical review letters 94 (19), 196102, 2005 | 386 | 2005 |
Mechanism and activity of photocatalytic oxygen evolution on titania anatase in aqueous surroundings YF Li, ZP Liu, LL Liu, W Gao Journal of the American Chemical Society 132 (37), 13008-13015, 2010 | 376 | 2010 |
Stochastic surface walking method for structure prediction and pathway searching C Shang, ZP Liu Journal of chemical theory and computation 9 (3), 1838-1845, 2013 | 308 | 2013 |
Particle size, shape and activity for photocatalysis on titania anatase nanoparticles in aqueous surroundings YF Li, ZP Liu Journal of the American Chemical Society 133 (39), 15743-15752, 2011 | 306 | 2011 |
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 | 304 | 2004 |
Formic Acid Oxidation at Pt/H2O Interface from Periodic DFT Calculations Integrated with a Continuum Solvation Model HF Wang, ZP Liu The Journal of Physical Chemistry C 113 (40), 17502-17508, 2009 | 276 | 2009 |
The role of Cu1–O3 species in single-atom Cu/ZrO2 catalyst for CO2 hydrogenation H Zhao, R Yu, S Ma, K Xu, Y Chen, K Jiang, Y Fang, C Zhu, X Liu, Y Tang, ... Nature Catalysis 5 (9), 818-831, 2022 | 260 | 2022 |
Origin and activity of gold nanoparticles as aerobic oxidation catalysts in aqueous solution C Shang, ZP Liu Journal of the American Chemical Society 133 (25), 9938-9947, 2011 | 253 | 2011 |
General trends in CO dissociation on transition metal surfaces ZP Liu, P Hu The Journal of Chemical Physics 114 (19), 8244-8247, 2001 | 244 | 2001 |
CO2 fixation into methanol at Cu/ZrO2 interface from first principles kinetic Monte Carlo QL Tang, QJ Hong, ZP Liu Journal of Catalysis 263 (1), 114-122, 2009 | 240 | 2009 |
The nature of active sites for carbon dioxide electroreduction over oxide-derived copper catalysts D Cheng, ZJ Zhao, G Zhang, P Yang, L Li, H Gao, S Liu, X Chang, S Chen, ... Nature communications 12 (1), 395, 2021 | 235 | 2021 |