Charge Polarization at a Au–TiC Interface and the Generation of Highly Active and Selective Catalysts for the Low‐Temperature Water–Gas Shift Reaction1. (3rd September 2014)

• Record Type: Journal Article
• Authors: Rodriguez, José A.; Ramírez, Pedro J.; Asara, Gian Giacomo; Viñes, Francesc; Evans, Jaime; Liu, Ping; Ricart, Josep M.; Illas, Francesc
• Is Part Of: Angewandte Chemie. Volume 126:Number 42(2014)
• Page Start: 11452
• Page End: 11456
• Publication Date: 2014-09-03
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1002/ange.201407208
• Languages: English
• ISSNs: 0044-8249

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>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.</p> </abstract>