First-principles calculations for nitrogen-containing single-walled carbon nanotubes
نویسندگان
چکیده
منابع مشابه
First-principles calculations for nitrogen-containing single-walled carbon nanotubes
We present calculations for possible configurations of nitrogen-containing single-walled carbon nanotubes and their electronic properties obtained with the ab initio tight-binding FIREBALL method. It is found that nitrogen atoms can be energetically incorporated into the carbon network in three forms: Substitution, substitution with formation of a vacancy structure, and chemical adsorption. The...
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ژورنال
عنوان ژورنال: Journal of Applied Physics
سال: 2003
ISSN: 0021-8979,1089-7550
DOI: 10.1063/1.1593798