کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5394486 | 1505626 | 2012 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical study of chemisorption of hydrogen atoms on the sidewalls of armchair single-walled carbon nanotubes with Stone-Wales defect
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Theoretical study of chemisorption of hydrogen atoms on the sidewalls of armchair single-walled carbon nanotubes with Stone-Wales defect Theoretical study of chemisorption of hydrogen atoms on the sidewalls of armchair single-walled carbon nanotubes with Stone-Wales defect](/preview/png/5394486.png)
چکیده انگلیسی
⺠Chemisorption of hydrogen atoms on the sidewalls of armchair SWCNTs with SW defect has been performed. ⺠The influence of tube diameter on the reaction energies and the reactivity of hydrogen chemisorption SWCNTs has been explored. ⺠Endohedral adsorption is energetically more favorable than exohedral adsorption for larger diameter (7, 7) and (8, 8) SWCNTs. ⺠The central CC bond of SW defect inside the (7, 7) and (8, 8) SWCNT sidewalls is more reactive than that in perfect sites.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 999, 1 November 2012, Pages 121-125
Journal: Computational and Theoretical Chemistry - Volume 999, 1 November 2012, Pages 121-125
نویسندگان
Ai-Dong Zhang, Dong-Lai Wang, Dong-Yan Hou,