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.
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.
authors.affiliation: Chemistry Department, Brookhaven National Laboratory, Upton, NY 11973 (USA). rodrigez@bnl.gov.
authors.forename: José A
authors.initials: JA
authors.lastname: Rodriguez
authors.forename: Pedro J
authors.initials: PJ
authors.lastname: Ramírez
authors.forename: Gian Giacomo
authors.initials: GG
authors.lastname: Asara
authors.forename: Francesc
authors.initials: F
authors.lastname: Viñes
authors.forename: Jaime
authors.initials: J
authors.lastname: Evans
authors.forename: Ping
authors.initials: P
authors.lastname: Liu
authors.forename: Josep M
authors.initials: JM
authors.lastname: Ricart
authors.forename: Francesc
authors.initials: F
authors.lastname: Illas
keywords: gold; hydrogen production; metal-support interactions; titanium carbide; water-gas shift reaction