Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 53, Issue 42, Pages 11270-11274Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201407208
Keywords
gold; hydrogen production; metal-support interactions; titanium carbide; water-gas shift reaction
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Funding
- US Department of Energy (DOE), Office of Basic Energy Science [DE-AC02-98CH10086]
- Spanish MINECO [CTQ2011-29054-CO2-01/BQU, CTQ2012-30751]
- Generalitat de Catalunya [2014SGR97, 2014SGR199]
- XRQTC
- Universitat Rovira i Virgili
- MINECO [RYC-2012-10129]
- ICREA Academic Award for excellence in research
- Red Espanola de Supercomputacion
- INTEVEP
- IDB
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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.
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