The barrier free splitting of O-H bond in H2O and CH3OH due to the synergetic effects of single atom (Cu1/Fe1) coordination change and ZnO(1 1 0) surface oxygen activation

被引：0

作者：

Li, Haisheng ^{[1
,2
,3
]}

Jelic, Jelena ^{[2
]}

Studt, Felix ^{[2
,4
]}

机构：

[1] School of Physics and Engineering, Henan University of Science and Technology, Luoyang,471023, China

[2] Institute of Catalysis Research and Technology, Karlsruhe Institute of Technology (KIT), Herrmann-von-Helmholtz-Platz 1, Eggenstein-Leopoldshafen,76344, Germany

[3] Provincial and Ministerial Co-construction of Collaborative Innovation Center for Non-ferrous Metal new Materials and Advanced Processing Technology, Luoyang,471023, China

[4] Institute for Chemical Technology and Polymer Chemistry, Karlsruhe Institute of Technology (KIT), Engesserstr. 20, Karlsruhe,76131, Germany

来源：

Applied Surface Science | 2022年 / 576卷

关键词：

Density functional theory;

D O I：

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摘要：

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