شماره ركورد كنفرانس :
4865
عنوان مقاله :
Theoretical study of adsorption of trichloroethylene on the surface of beryllium oxide nanotubes
پديدآورندگان :
Tavakoli a, Nasibeh University of Mazandaran , Farmanzadeh Davood University of Mazandaran
كليدواژه :
Adsorption , Beryllium oxide , Density functional theory , Nanotube , Trichloroethylene.
عنوان كنفرانس :
بيست و دومين كنفرانس ملي شيمي فيزيك ايران
چكيده فارسي :
The adsorption of trichloroethylene (C2HCl3) molecule on the surfaces of the beryllium oxide (BeO) nanotube was investigated by means of density functional theory. The results show that the adsorption of trichloroethylene on both (4,4) and (8,0) nanotubes are inn chemical adsorption range, and changes energy gap in the (4,4) nanotube are more significant.
