Catalysis by doped oxides:: CO oxidation by AuxCe1-xO2

被引：320

作者：

Shapovalov, Vladimir ^{[1
]}

Metiu, Horia ^{[1
]}

机构：

[1] Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA

来源：

JOURNAL OF CATALYSIS | 2007年 / 245卷 / 01期

基金：

美国国家科学基金会;

关键词：

doped ceria; carbon monoxide; oxidation catalyst; DFT calculation;

D O I：

10.1016/j.jcat.2006.10.009

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：

Density functional theory calculations for the CeO2 (111) surface doped with An, Ag, and Cu show that the bond between the oxygen atoms and the oxide is weakened by presence of the dopant. In CO oxidation, doping of CeO2 with An allows the oxide to react readily with CO and make carbonates. These decompose to release CO2 and form an oxygen vacancy on the surface. The vacancy adsorbs oxygen from the gas and weakens its bond, so that it reacts with CO to form a carbonate, which decomposes to release CO2 and heal the oxygen vacancy. To be a good oxidation catalyst, a doped oxide must achieve a balance between two conflicting requirements: It must make surface oxygen reactive but not so much that it will hinder the healing of the oxygen vacancies created by the oxidation reaction. (c) 2006 Elsevier Inc. All rights reserved.

引用

页码：205 / 214

页数：10

共 100 条

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