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http://hdl.handle.net/2445/165976| 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 |
| Author: | Rodríguez, José A. Ramírez, Pedro J. Asara, Gian Giacomo Viñes Solana, Francesc Evans, Jaime Liu, Ping Ricart, Josep M. Illas i Riera, Francesc |
| Keywords: | Or Titani Catàlisi Polarització (Física nuclear) Gold Titanium Catalysis Polarization (Nuclear physics) |
| Issue Date: | 4-Sep-2014 |
| Publisher: | Wiley-VCH |
| 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. |
| Note: | Versió postprint del document publicat a: https://doi.org/10.1002/anie.201407208 |
| It is part of: | Angewandte Chemie-International Edition, 2014, vol. 53, num. 42, p. 11270-11274 |
| URI: | http://hdl.handle.net/2445/165976 |
| Related resource: | https://doi.org/10.1002/anie.201407208 |
| ISSN: | 1433-7851 |
| Appears in Collections: | Articles publicats en revistes (Ciència dels Materials i Química Física) |
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| File | Description | Size | Format | |
|---|---|---|---|---|
| 665604.pdf | 894.85 kB | Adobe PDF | View/Open |
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