双金属片
水煤气变换反应
催化作用
密度泛函理论
选择性
无机化学
化学
材料科学
物理化学
计算化学
有机化学
作者
Ping Yin,Hao Meng,Lei Wang,Yingjie Lai,Jie Yao,Jun Yu,Wei Liu,Xin Zhao,Tianyao Shen,Xin Zhang,Jingbin Han,Yusen Yang,Hong Yan,Min Wei
出处
期刊：Journal of materials chemistry. A, Materials for energy and sustainability
[The Royal Society of Chemistry]
日期：2022-01-01
卷期号：10 (31): 16610-16619
被引量：2
摘要
The water gas shift reaction (WGS) process on the NiM(111) bimetallic surfaces (M = Fe, Co, Cu, Zn) are studied by density functional theory method and experimental studies. The NiCo and NiCu exhibit the optimum catalytic activity and CO 2 selectivity.
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