Toward accurate and efficient dynamic computational strategy for heterogeneous catalysis: Temperature-dependent thermodynamics and kinetics for the chemisorbed on-surface CO
a Fujian Science & Technology Innovation Laboratory for Optoelectronic Information of China, Fuzhou 350108, China
b State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China
c State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen University, Xiamen 361005, China
d University of Chinese Academy of Sciences, Beijing 100049, China
e MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University, Shanghai 200433, China
f Shenzhen Jingtai Technology Co., Ltd. (XtalPi), Fubao Community, Shenzhen 518045, China
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