Identifying structural and energetic trends in isovalent core-shell nanoalloys as a function of composition and size mismatch
نویسندگان
چکیده
منابع مشابه
Identifying structural and energetic trends in isovalent core-shell nanoalloys as a function of composition and size mismatch.
We locate the putative global minimum structures of Na(x)Cs(55-x) and Li(x)Cs(55-x) nanoalloys through combined empirical potential and density functional theory calculations, and compare them to the structures of 55-atom Li-Na and Na-K nanoalloys obtained in a recent paper [A. Aguado and J. M. López, J. Chem. Phys. 133, 094302 (2010)]. Alkali nanoalloys are representative of isovalent metallic...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2011
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3645105