شماره ركورد كنفرانس
5328
عنوان مقاله
Density functional theory study of formamide adsorption on the pristine (8,0)Carbontube
پديدآورندگان
Ghaffari Marjan ghafarimarjan@stu.yazd.ac.ir Department of Chemistry, Yazd University, Yazd, Iran, , Mohammadi-Manesha Hossein Department of Chemistry, Yazd University, Yazd, Iran, , Kalantari Fotoohb Forough f_kalantari_f@iauyazd.ac.ir Department of chemistry, Yazd branch, Islamic Azad University, Yazd, Iran
تعداد صفحه
2
كليدواژه
Density functional theory , SWCNT , HCONH2 adsorption , Electronic structure
سال انتشار
1400
عنوان كنفرانس
بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران
زبان مدرك
انگليسي
چكيده فارسي
Adsorption of formamide (HCONH2,FM) molecule on (8,0) single-walled carbon nanotube (SWCNT) was studied by density functional theory (DFT) method. The FM molecule was adsorbed from the oxygen side on C1 atom of nanotube and its geometric structure and electronic properties before and after FM adsorption were investigated
كشور
ايران
لينک به اين مدرک