Charge polarization at a Au-TiC interface and the generation of highly active and selective catalysts for the low-temperature water-gas shift reaction

Rodríguez, José A.Ramírez, Pedro J.Asara, Gian GiacomoViñes Solana, FrancescEvans, JaimeLiu, PingRicart, Josep M.Illas i Riera, Francesc2020-06-172020-06-172014-09-041433-7851https://hdl.handle.net/2445/165976Au 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.5 p.application/pdfeng(c) Wiley-VCH, 2014OrTitaniCatàlisiPolarització (Física nuclear)GoldTitaniumCatalysisPolarization (Nuclear physics)Charge polarization at a Au-TiC interface and the generation of highly active and selective catalysts for the low-temperature water-gas shift reactioninfo:eu-repo/semantics/article6656042020-06-17info:eu-repo/semantics/openAccess