شماره ركورد كنفرانس
4865
عنوان مقاله
The Influence of Li Atoms on Electronic and Structural Properties of Silicon Carbide Nano sheets.
پديدآورندگان
Roohi H lotfichemist@yahoo.com University of Guilan , Lotfi T hrouhi@gmail.com University of Guilan
تعداد صفحه
2
كليدواژه
band gap , basis set , dipole moment , DFT , DOS
سال انتشار
1398
عنوان كنفرانس
بيست و دومين كنفرانس ملي شيمي فيزيك ايران
زبان مدرك
انگليسي
چكيده فارسي
In this work, influence of Li atoms on electronic and structural properties of SiC nanosheets was investigated by means of M06-2X and B3LYP functionals and 6-31+G(d) basis set. The optimized structures, binding energies, band gap energies, dipole moments, DOS (density of states) of complexes were calculated.
كشور
ايران
لينک به اين مدرک