A First-Principles DFT Study on the Active Sites of Pd-Cu-Cl-x/Al2O3 Catalyst for Low-Temperature CO Oxidation

作者：Shen, Changli; Li, Huiying; Yu, Jun; Wu, Guisheng; Mao, Dongsen; Lu, Guanzhong^*

来源：ChemCatChem, 2013, 5(10): 2813-2817.

DOI：10.1002/cctc.201300356

• copper
• density functional calculations
• oxidation
• palladium
• reaction mechanisms

A tandem cycle ride: The catalytic reaction mechanism of CO oxidation over Pd-Cu-Clx/γ-Al2O3 is proposed based on DFT studies. There are two catalytic cycles in the CO oxidation process, the palladium cycle(- (green)) and the copper cycle(- (red)).

• 出版日期2013-10
• 单位华东理工大学; 上海应用技术大学