کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1547128 | 997629 | 2008 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical study on non-covalent functionalization of armchair carbon nanotube by tetrathiafulvalene molecule
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
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چکیده انگلیسی
The tetrathiafulvalene (TTF) functionalized armchair single-walled carbon nanotube (SWCNT) is investigated using self-consistent-field crystal orbital calculations based on the density functional theory. The studies focus on the structure and electronic properties upon the functionalization of the SWCNT by TTF molecule. Our calculations show that the external absorption of TTF is less stable than the encapsulated ones. It is found that the metallic character of the SWCNT remains for all the models are considered here. Additionally, we also calculated the charge carrier mobility for the one-dimensional (1D) TTF@SWCNT chain with deformational potential approach.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica E: Low-dimensional Systems and Nanostructures - Volume 40, Issue 7, May 2008, Pages 2396–2399
Journal: Physica E: Low-dimensional Systems and Nanostructures - Volume 40, Issue 7, May 2008, Pages 2396–2399
نویسندگان
Niya Sa, Guo Wang, Bing Yin, Yuanhe Huang,