Charge Polarization at a Au-TiC Interface and the Generation of Highly Active and Selective Catalysts for the Low-Temperature Water-Gas Shift Reaction

被引：68

作者：

Rodriguez, Jose A. ^{[1
]}

Ramirez, Pedro J. ^{[1
,2
]}

Giacomo Asara, Gian ^{[3
,4
,5
]}

Vines, Francesc ^{[4
,5
]}

Evans, Jaime ^{[2
]}

Liu, Ping ^{[1
]}

Ricart, Josep M. ^{[3
]}

Illas, Francesc ^{[4
,5
]}

机构：

[1] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA

[2] Cent Univ Venezuela, Fac Ciencias, Caracas 1020A, Venezuela

[3] Univ Rovira & Virgili, Dept Quim Fis & Inorgan, E-43007 Tarragona, Spain

[4] Univ Barcelona, Dept Quim Fis, E-08028 Barcelona, Spain

[5] Univ Barcelona, IQTCUB, E-08028 Barcelona, Spain

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2014年 / 53卷 / 42期

关键词：

gold; hydrogen production; metal-support interactions; titanium carbide; water-gas shift reaction; METAL-SUPPORT INTERACTIONS; MOLYBDENUM CARBIDE; CO2; ACTIVATION; IN-SITU; HYDROGENATION; MECHANISM; SIZE; ENERGY; OXIDE; NITRIDES;

D O I：

10.1002/anie.201407208

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Au atoms in contact with TiC(001) undergo significant charge polarization. Strong metal-support interactions make Au/TiC(001) an excellent catalyst for the low-temperature water-gas shift (WGS), with turnover frequencies orders of magnitude larger than those observed for conventional metal/oxide catalysts. DFT calculations indicate that the WGS reaction follows an associative mechanism with HOCO as a key intermediate.

引用

页码：11270 / 11274

页数：5

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