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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
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201407208
Subject(s) - water gas shift reaction , catalysis , metal , polarization (electrochemistry) , chemistry , oxide , reaction mechanism , photochemistry , water gas , chemical physics , organic chemistry , syngas
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.