کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5418047 1506972 2007 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
C72 (or C120) cluster growth from C36 (or C60) clusters
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
C72 (or C120) cluster growth from C36 (or C60) clusters
چکیده انگلیسی
We suggest fabricating larger clusters of equal size by dimerizing smaller ones, and performed molecular dynamics simulations with Brenner potential on C72 (or C120) cluster growth from C36 (or C60) clusters in He atmosphere at temperatures between 100 and 4000 K, showing that the resultant clusters may be dumbbell, pod or ball shape, depending on the ambient temperatures. Optimized by the Hartree-Fock method, these final structures keep nearly unchanged. The dimerizing dynamics was found to approximately satisfy the Arrhenius law and the activation energy for C60, 1.860 eV, is close to previous measurement.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 807, Issues 1–3, 1 April 2007, Pages 201-206
نویسندگان
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