Reaction Mechanism of the Low-Temperature Water-Gas Shift Reaction on Au/TiO2 Catalysts

被引：69

作者：

Sun, Keju ^{[1
,2
,3
]}

Kohyama, Masanori ^{[3
]}

Tanaka, Shingo ^{[3
]}

Takeda, Seiji ^{[2
]}

机构：

[1] Yanshan Univ, Coll Environm & Chem Engn, Key Lab Appl Chem, 438 Hebei Ave, Qinhuangdao 066004, Peoples R China

[2] Osaka Univ, Inst Sci & Ind Res, 8-1 Mihogaoka, Osaka 5670047, Japan

[3] Natl Inst Adv Ind Sci & Technol, Environm & Energy Dept, Res Inst Electrochem Energy, 1-8-31 Midorigaoka, Ikeda, Osaka 5638577, Japan

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2017年 / 121卷 / 22期

基金：

日本科学技术振兴机构;

关键词：

IN-SITU; CO OXIDATION; AU NANOPARTICLES; GOLD CATALYSTS; DISSOCIATION; DRIFTS; TIO2(110); INTERFACE; CEO2(111); VACANCIES;

D O I：

10.1021/acs.jpcc.7b02400

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：

The redox and associative mechanisms for the low temperature water gas shift (WGS) reaction on Au/TiO2 catalysts are thoroughly examined by density functional theory calculations and microkinetic studies. For the redox mechanism, we have observed that the presence of a gold cluster and extra oxygen vacancies on a TiO2 surface is vital for the WGS reaction, especially for the process of H-2, release. For the associative mechanism via intermediate species, it is very hard for COOH to be generated in the WGS reaction. HCOO could be generated, while HCOO should only be a product of side reactions because of the difficulty in H-2 release. The present results indicate that the WGS reaction on Au/TiO2 catalysts can be well explained by the redox mechanism. The present understanding of the mechanism should open a new door for catalyst design in WGS reactions.

引用

页码：12178 / 12187

页数：10

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