Genetic algorithm aided density functional theory simulations unravel the kinetic nature of Au(100) in catalytic CO oxidation

Genetic algorithm aided density functional theory simulations unravel the kinetic nature of Au(100) in catalytic CO oxidation

Yi Fang, Xueqing Gong

Genetic algorithm aided density functional theory simulations unravel the kinetic nature of Au(100) in catalytic CO oxidation

Yi Fang, Xueqing Gong

中国化学快报 . 2019, (06): 1346 -1350 . DOI: 10.1016/j.cclet.2018.12.025