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cond-mat.mes-hall2017★ 164 cited
Tuning electronic properties in graphene quantum dots by chemical functionalization: Density functional theory calculations
Hazem Abdelsalam, Hanan Elhaes, Medhat A. Ibrahim
The electronic energy gap and total dipole moment of chemically functionalized hexagonal and triangular graphene quantum dots are investigated by the density functional theory. It…
cond-mat.mes-hall2017★ 78 cited
First principles study of edge carboxylated graphene quantum dots
Hazem Abdelsalam, Hanan Elhaes, Medhat A. Ibrahim
The structure stability and electronic properties of edge carboxylated hexagonal and triangular graphene quantum dots are investigated by using density functional theory. The calcu…