کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1564504 1513959 2006 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Molecular dynamics of single wall carbon nanotube growth on nickel surface
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
Molecular dynamics of single wall carbon nanotube growth on nickel surface
چکیده انگلیسی

Growth mechanism of a single wall carbon nanotube on the surface of a nickel nanoparticle in the CVD method has been investigated by classical molecular dynamics method. Using first principles methods, we have first constructed a classical potential to describe the interaction between a carbon atom and the nickel surface. The important ingredient in this potential is its coordination number dependence, which also provides the key to the growth mechanism of the nanotube. From the simulations, it is proposed that the growth of an armchair nanotube takes place via attachment of dimers to its end which is in contact with the nickel surface. The effect of nickel nanoparticle’s radius on the attachment barrier is also discussed.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 36, Issues 1–2, May 2006, Pages 117–120
نویسندگان
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