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

Rodriguez José A. | Zendy; Ramírez Pedro J. | Zendy; Asara Gian Giacomo | Zendy; Viñes Francesc | Zendy; Evans Jaime | Zendy; Liu Ping | Zendy; Ricart Josep M. | Zendy; Illas Francesc | Zendy

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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(s) -

Rodriguez José A.,

Ramírez Pedro J.,

Asara Gian Giacomo,

Viñes Francesc,

Evans Jaime,

Liu Ping,

Ricart Josep M.,

Illas Francesc

Publication year - 2014

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.201407208

Subject(s) - water gas shift reaction , catalysis , polarization (electrochemistry) , metal , oxide , materials science , reaction mechanism , chemistry , chemical physics , photochemistry , metallurgy , organic chemistry

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.

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