کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1545264 | 997589 | 2009 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical investigation of [5,5], [9,0] and [10,10] closed SWCNTs
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Hartree-Fock and density functional theory calculations were performed on closed single-walled carbon nanotubes (SWCNTs) with the number of atoms up to 400. The calculated results demonstrate that the HOMO-LUMO gaps of [5,5]- and [9,0]-SWCNTs change with a different manner from those of [10,10]-SWCNTs and they are all dependent on their diameters and lengths. The calculated total energies per carbon and energy gaps of these SWCNTs demonstrate that the stability order is [10,10]>[9,0]â[5,5]-SWCNTs with the same number of atoms. The calculated average bond lengths (ABLs) decrease with the number of atoms and the ABLs of SWCNTs with smaller diameters are larger than those of SWCNTs with larger diameters.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica E: Low-dimensional Systems and Nanostructures - Volume 41, Issue 7, June 2009, Pages 1249-1252
Journal: Physica E: Low-dimensional Systems and Nanostructures - Volume 41, Issue 7, June 2009, Pages 1249-1252
نویسندگان
Li-Hua Gan, Jian-Qiang Zhao,