Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5384490 | Chemical Physics Letters | 2011 | 6 Pages |
Abstract
⺠CHx and CHxO species adsorbed on various sites of a Pd79 nanoparticle are studied. ⺠For that, density-functional calculations are performed. ⺠The structures, energies and vibrations of the adsorption complexes are considered. ⺠Low coordinated sites can bind by up to 20-50 kJ/mol stronger than the terrace sites. ⺠Spectroscopic detection of the adsorbates on terrace and edge Pd sites is addressed.
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Authors
Sergey M. Kozlov, Gabriela F. Cabeza, Konstantin M. Neyman,