شماره ركورد كنفرانس :
4380
عنوان مقاله :
Modification of conductive properties of (5, 0)
and (7, 0) Boron Nitride nanotubes (BNNTs) by
Li adsorption
پديدآورندگان :
Z. Tavangar Department of Physical Chemistry, Faculty of Chemistry, University of Kashan, Kashan, I. R. Iran , M. Hamadanian Department of Physical Chemistry, Faculty of Chemistry, University of Kashan, Kashan, I. R. Iran , H. Basharnavaz hadibasharnavaz@gmail.com
Department of Physical Chemistry, Faculty of Chemistry, University of Kashan, Kashan, I. R. Iran;
كليدواژه :
Boron nitride nanotube , Semiconductors , Li , adsorption
عنوان كنفرانس :
دومين كنفرانس جبر محاسباتي، نظريه محاسباتي اعداد و كاربردها
چكيده فارسي :
In comparison with CNTs, BNNTs have higher chemical stability, excellent mechanical proper-
ties, and higher thermal conductivity. In the present research, we study the effect of Li adsorption
on the structural and electronic properties of pure (5, 0) and (7, 0) BN nanotubes in the solid phase
using density functional theory. The results show that adsorption of Li on the N atom of the BN
nanotubes cause the reduction of band gap energy between the valence and conduction levels, so
it leads to increase of nanotubes conductivity.
