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
810 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
642 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
608 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
552 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
503 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
499 2003 Tafel kinetics of electrocatalytic reactions: from experiment to first-principles YH Fang, ZP Liu
ACS Catalysis 4 (12), 4364-4376, 2014
418 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 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
374 2021 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 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
302 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
299 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
288 2013 Formic Acid Oxidation at Pt/H2 O 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
270 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
248 2011 General trends in CO dissociation on transition metal surfaces ZP Liu, P Hu
The Journal of Chemical Physics 114 (19), 8244-8247, 2001
236 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
231 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
217 2021