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Dr. Livia Giordano, Prof. Gianfranco Pacchioni, Dr. Claudine Noguera and Dr. Jacek Goniakowski Identification of Active Sites in a Realistic Model of Strong Metal–Support Interaction Catalysts: The Case of Platinum (1 1 1)-Supported Iron Oxide Film ChemCatChem 6

Article first published online: 17 OCT 2013 | DOI: 10.1002/cctc.201300642

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Exchanges at the border: Oxygen exchange characteristics at terrace and border sites of an FeOx/Pt(1 1 1) ultra-thin film are obtained within a realistic strong metal–support interaction catalyst model by DFT+U calculations. Oxide–metal and oxide–oxide boundaries are found to easily adsorb and release oxygen and are thus potentially responsible for the observed low-temperature activity in CO oxidation.

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