کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1449495 988706 2008 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Charge transfer driven surface segregation of gold atoms in 13-atom Au–Ag nanoalloys and its relevance to their structural, optical and electronic properties
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد سرامیک و کامپوزیت
پیش نمایش صفحه اول مقاله
Charge transfer driven surface segregation of gold atoms in 13-atom Au–Ag nanoalloys and its relevance to their structural, optical and electronic properties
چکیده انگلیسی

The structural, optical and electronic properties of 13-atom Ag–Au nanoalloys are determined by a combination of global optimization using semi-empirical potentials and density functional theory calculations. A family of Au surface-segregated structures are found for core–shell AgnAu13−n (n = 1, 2, 3, 5, 7, 8, 9, 12) and hollow AgnAu13−n (n = 4, 6, 10, 11) clusters, whose stability is enhanced by directional charge transfer. The atomic ordering in core–shell structures is related to the electric dipole moment and odd-numbered surface Au-atom clusters have high moments. Their ferroelectric and ferromagnetic properties provide a potential approach for tailoring their surface plasmonic modes.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Acta Materialia - Volume 56, Issue 10, June 2008, Pages 2374–2380
نویسندگان
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