کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9667495 863757 2005 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Ground states of potassium adsorbate on single-walled carbon nanotubes
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Ground states of potassium adsorbate on single-walled carbon nanotubes
چکیده انگلیسی
We have investigated the ground states of single-walled carbon nanotubes with potassium atoms adsorbed in the center of the hexagonal unit using the Monte-Carlo method and the first-principles approach. We predict that two types of high coverage structures (x=1/2,2/3) are stable for adsorption on the (6,0) carbon nanotube in addition to low coverage structures of adsorbate on graphite. It is shown that the curvature of carbon nanotube surface enhances the stability of high coverage structures of adsorbate.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 169, Issues 1–3, 1 July 2005, Pages 20-23
نویسندگان
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