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Volumn 80, Issue 16, 2009, Pages

Generalizing segregation and chemical ordering in bimetallic nanoclusters through atomistic view points

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EID: 85010244259     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.80.161412     Document Type: Article
Times cited : (34)

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    • E-PRBMDO-80-R29940 for the details of the constant energy molecular dynamics simulations for optimizing Pt-Au, Pt-Pd, and Pt-Ni clusters. The document also presents an approximation for the cohesive energy difference between the surface and central homotop, and a description of the DFT binding energies calculations for the host-guest systems Pt-Au, Pt-Ni, Mg-Ca, Mg-Ba, and Na-Mg which support our general predictions. For more information on EPAPS, see http://www.aip.org/pubservs/epaps.html.
    • See EPAPS Document No. E-PRBMDO-80-R29940 for the details of the constant energy molecular dynamics simulations for optimizing Pt-Au, Pt-Pd, and Pt-Ni clusters. The document also presents an approximation for the cohesive energy difference between the surface and central homotop, and a description of the DFT binding energies calculations for the host-guest systems Pt-Au, Pt-Ni, Mg-Ca, Mg-Ba, and Na-Mg which support our general predictions. For more information on EPAPS, see http://www.aip.org/pubservs/epaps.html.
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