کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9567300 | 1503713 | 2005 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Carbon nanotube adsorbed on hydrogenated Si(0Â 0Â 1) surfaces
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The structural and electronic properties of a metallic single-walled carbon nanotube (CNT), adsorbed on hydrogenated Si(0Â 0Â 1) surfaces, have been investigated by first-principles calculations. We find that the electronic properties of the adsorbed CNT can be ruled by the H concentration along the CNT-H/Si(0Â 0Â 1) contact region. (i) On the fully hydrogenated Si(0Â 0Â 1), the CNT is physisorbed, preserving almost unchanged its metallic character. (ii) Removing half the H atoms along the adsorption site, we find an enhancement on the metallicity of the adsorbed CNT. (iii) When all the H atoms along the adsorption site are removed, the adsorbed CNT becomes semiconducting, exhibiting an energy gap. These results suggest that metallic CNTs adsorbed on H/Si(0Â 0Â 1) could be transformed into metal-semiconductor junctions by grading the H concentration along the CNT-surface interface.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 244, Issues 1â4, 15 May 2005, Pages 124-128
Journal: Applied Surface Science - Volume 244, Issues 1â4, 15 May 2005, Pages 124-128
نویسندگان
R.H. Miwa, W. Orellana, A. Fazzio,