CO oxidation catalysed by Pd-based bimetallic nanoalloys
Density functional theory based global geometry optimization has been used to demonstrate the crucial influence of the geometry of the catalytic cluster on the energy barriers for the CO oxidation reaction over Pd-based bimetallic nanoalloys. We show that dramatic geometry change between the reactio...
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| Format: | Journal article |
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Royal Society of Chemistry
2015
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