کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5394233 1505615 2013 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Size-selective effects in the geometry and electronic property of bimetallic Au-Ge nanoclusters
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Size-selective effects in the geometry and electronic property of bimetallic Au-Ge nanoclusters
چکیده انگلیسی
► Size-selective effects of some properties on clusters are studied using DFT method. ► The AuGe8- and AuGe9- structures are rearranged due to addition of an extra electron. ► Magic number of cagelike AuGen- clusters is favored at n = 10, the most stable one for n = 12. ► The HOMO-LUMO gaps show a decreased tendency along with the increasing size. ► AEA, VEA and VDE of the most stable clusters were obtained and discussed in detail.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 1010, 15 April 2013, Pages 32-37
نویسندگان
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