نوع مقاله : ویژه نامه
نویسندگان
هیئت علمی
چکیده
کلیدواژهها
موضوعات
عنوان مقاله [English]
نویسندگان [English]
The present article is devoted to first-principles investigation of methane-sensing properties of (8, 0) carbon nanotube decorated with nickel atom using density functional theory. As we shall show the pure (8, 0) carbon nanotube is a weak methane sensor with very low adsorption energy whereas nickel decoration increases methane adsorption energy in this system and significantly affects its electronic structure. Our results also show that nickel decoration of (8, 0) carbon nanotube enhances the band gap energy as well as density of states near the valance band, indicating the feasibility of nickel-decorated (8, 0) carbon nanotube as a methane gas sensor.
کلیدواژهها [English]
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