Abstract

In this study, it has been found a configuration including dopant atoms which are replaced in a diagonal line through hand-running atoms from each other. Those are more favorable energetically, and the configuration with atoms of boron and nitrogen are more stable with binding energies. This phenomenon confirms the homogeneous B-substitution that may be easier than the other atoms such as N-substitution. The root of these differences might be affected the structure of B-C bonds which are about 0.5% longer than the C-C bond. Band-gap is opened through the effect of substitution B atom doping on the structure of graphene and the Fermi levels lies in the valence and conduction bands. It has been shown a model of a nanoscale dielectric capacitor composed of a few dopants including metallic graphene layers separated by an insulating medium containing a few h-BN layers

Keywords: Nano capacitor; Graphene; Doping; Boron nitride sheet