کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1590696 | 1515442 | 2006 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Ab initio study of the structural and electronic properties of carbon nanowires
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Ab initio study of the structural and electronic properties of carbon nanowires Ab initio study of the structural and electronic properties of carbon nanowires](/preview/png/1590696.png)
چکیده انگلیسی
An ab initio study of the structural and electronic properties of carbon nanowires Cn with n = 1, 6 has been made within density functional theory (DFT) in the generalized gradient approximation (GGA). The present study reveals that all the wires are metallic. The binding energies (BE's) for all the optimized carbon wires are more or less similar. The C-C bond length increases with n up to n = 5 and decreases thereafter. The maximum electron density of states (DOS) is seen for the 4-C wire followed by 3-C and 5-C wires. The number of channels available for the electric conduction is large (7, 9) for n = 4-6. These features may be of great interest for achieving high conductivity.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Progress in Crystal Growth and Characterization of Materials - Volume 52, Issues 1â2, MarchâJune 2006, Pages 4-9
Journal: Progress in Crystal Growth and Characterization of Materials - Volume 52, Issues 1â2, MarchâJune 2006, Pages 4-9
نویسندگان
B.K. Agrawal, S. Agrawal, S. Singh, V. Singh,