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Title: Charge polarization at a Au-TiC interface and the generation of highly active and selective catalysts for the low-temperature water-gas shift reaction
Author: Rodríguez, José A.
Ramirez, Pedro J.
Asara, Gian Giacomo
Viñes Solana, Francesc
Evans, Jaime
Liu, Ping
Ricart, Josep M.
Illas i Riera, Francesc
Keywords: Or
Polarització (Física nuclear)
Polarization (Nuclear physics)
Issue Date: 4-Sep-2014
Publisher: Wiley-VCH
Abstract: 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.
Note: Versió postprint del document publicat a:
It is part of: Angewandte Chemie-International Edition, 2014, vol. 53, num. 42, p. 11270-11274
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ISSN: 1433-7851
Appears in Collections:Articles publicats en revistes (Ciència dels Materials i Química Física)

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