کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1564302 999640 2007 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Effects of hole doping on selectivity of naphthalene towards single-wall carbon nanotubes
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
Effects of hole doping on selectivity of naphthalene towards single-wall carbon nanotubes
چکیده انگلیسی

Using first principle calculations, we find that hole doping remarkably enhances adsorption strength of naphthalene on single-wall carbon nanotubes (SWNTs). The enhancement in adsorption strength is more significant for the larger-sized SWNTs, and the adsorption of naphthalene on the larger-sized (10,0) SWNTs becomes stronger than that on the smaller-sized (5,5) SWNTs at a higher doping level. However, the enhancement in adsorption strength appears insensitive to the electronic structure of SWNTs. For similar-sized SWNTs, hole doping does not reverse the selective adsorption of naphthalene towards metallic SWNTs versus their semiconducting counterparts. This is in sharp contrast to NH2CH3 adsorption, where hole doping can reverse the selectivity of NH2CH3 towards metallic SWNTs versus similar-sized semiconducting SWNTs.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 40, Issue 3, September 2007, Pages 354–358
نویسندگان
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