| 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 | 803 | 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 | 639 | 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 | 621 | 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 |
| 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 | 547 | 2010 |
| 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 | 500 | 2008 |
| 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 |
| Tafel kinetics of electrocatalytic reactions: from experiment to first-principles YH Fang, ZP Liu ACS Catalysis 4 (12), 4364-4376, 2014 | 413 | 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 | 382 | 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 | 373 | 2010 |
| 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 | 347 | 2021 |
| 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 | 301 | 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 | 296 | 2004 |
| 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 | 282 | 2013 |
| 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 | 268 | 2009 |
| 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 | 247 | 2011 |
| General trends in CO dissociation on transition metal surfaces ZP Liu, P Hu The Journal of Chemical Physics 114 (19), 8244-8247, 2001 | 235 | 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 | 232 | 2009 |
| A density functional theory study on the active center of Fe-only hydrogenase: characterization and electronic structure of the redox states ZP Liu, P Hu Journal of the American Chemical Society 124 (18), 5175-5182, 2002 | 223 | 2002 |
| 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), 1-8, 2021 | 211 | 2021 |
Peijun HuProfessor, School of Chemistry and Chemical Engineering, Queen's University of BelfastVerified email at qub.ac.uk
