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
804 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
548 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
501 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
415 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
363 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
284 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
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
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
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
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
213 2021