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

被引：12
作者：
Shen, Changli [1 ]
Li, Huiying [1 ]
Yu, Jun [1 ]
Wu, Guisheng [1 ]
Mao, Dongsen [1 ]
Lu, Guanzhong [1 ,2 ]
机构：
[1] Shanghai Inst Technol, Res Inst Appl Catalysis, Shanghai 201418, Peoples R China
[2] E China Univ Sci & Technol, Res Inst Ind Catalysis, Shanghai 200237, Peoples R China
来源：
CHEMCATCHEM | 2013年 / 5卷 / 10期
基金：
中国国家自然科学基金;
关键词：
copper; density functional calculations; oxidation; palladium; reaction mechanisms; SUPPORTED PDCL2-CUCL2 CATALYSTS; CARBON-MONOXIDE OXIDATION; WACKER-TYPE CATALYSTS; CU CATALYSTS; ALUMINA; PD; TRANSITION; MECHANISM; MOISTURE; METALS;
D O I：
10.1002/cctc.201300356
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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)). © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
引用
收藏
页码：2813 / 2817
页数：5
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