کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10642408 | 997656 | 2005 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural and electronic properties of single-wall ZnO nanotubes
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
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چکیده انگلیسی
The structural and electronic properties of armchair and zigzag models of single-wall ZnO nanotubes have been investigated by performing semiempirical molecular orbital self-consistent field calculations at the level of AM1 method within the RHF formulation. It has been found that these structures are stable and endothermic. The armchair model has zero net dipole moment, whereas the zigzag model has nonzero net dipole moment. The interfrontier molecular energy gap of these systems are different; the gap of armchair model is about 0.2Â eV, whereas the gap of zigzag model is about 4.4Â eV. Armchair ZnO nanotubes seem to be conductors, however zigzag ZnO nanotubes seem to be semiconductors.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica E: Low-dimensional Systems and Nanostructures - Volume 28, Issue 2, July 2005, Pages 162-170
Journal: Physica E: Low-dimensional Systems and Nanostructures - Volume 28, Issue 2, July 2005, Pages 162-170
نویسندگان
Åakir Erkoç, Hatice Kökten,