کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10714081 | 1025568 | 2012 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles study of electronic and elastic properties of Stone-Wales defective zigzag carbon nanotubes
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: First-principles study of electronic and elastic properties of Stone-Wales defective zigzag carbon nanotubes First-principles study of electronic and elastic properties of Stone-Wales defective zigzag carbon nanotubes](/preview/png/10714081.png)
چکیده انگلیسی
The interaction and coupling between the electrical, mechanical properties and formation energy for SW defective (10,0) carbon nanotube is studied in density functional theory. The investigated configurations include the axial and circumferential orientations for single defect as well as four distribution types for double ones. The more stable defective configurations, namely, SW-I configurations for single SW defective carbon nanotube and II-II-(2) and I-I ones for double SW defective tubes are related to high symmetry distribution of the defects. Moreover, we found that the Ïâ-Ï* hybridization induced by curvature effect causes the semiconductor to metal transition for double axial SW defects case. Young's modulus reduction of SW defective carbon nanotube with respect to defect-free one is less than 8%. The energy bands and Young's moduli of double SW defective tubes are mostly affected by the defect distribution and concentration but insensitive to the circumferential distance between the double defects.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 407, Issue 14, 15 July 2012, Pages 2763-2767
Journal: Physica B: Condensed Matter - Volume 407, Issue 14, 15 July 2012, Pages 2763-2767
نویسندگان
Lijun Pan, Zigang Shen, Yu Jia, Xianqi Dai,