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Structures of small Pd-Au clusters adsorbed on stepped MgO(100): A density-functional study (Articolo in rivista)
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- Structures of small Pd-Au clusters adsorbed on stepped MgO(100): A density-functional study (Articolo in rivista) (literal)
- Anno
- 2013-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1016/j.cplett.2013.04.050 (literal)
- Alternative label
Damianos, Konstantina; Ferrando, Riccardo (2013)
Structures of small Pd-Au clusters adsorbed on stepped MgO(100): A density-functional study
in Chemical physics letters (Print); North Holland Pub. Co., Amsterdam (Paesi Bassi)
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- Damianos, Konstantina; Ferrando, Riccardo (literal)
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- University of Genoa; CNR IMEM (literal)
- Titolo
- Structures of small Pd-Au clusters adsorbed on stepped MgO(100): A density-functional study (literal)
- Abstract
- The structures of small Pd-Au clusters adsorbed on stepped MgO(100) are studied by Density-Functional Theory calculations, in the size range from 2 to 7 atoms for all compositions. A series of different structural motifs is singled out. These motifs are often in close energetic competition. It is shown that the adsorption in the vicinity of a step has strong effects on the preferential morphologies of these clusters. The driving forces for the stabilization of the lowest-energy structures are discussed. (C) 2013 Elsevier B.V. All rights reserved. (literal)
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