Effect of defects such as vacancy with oxygen and adsorbed oxygen on electronic structure of graphene plane

Abstract

The article is devoted to the study of the effect of vacancytype defects with an oxygen atom attached to the graphene plane depending on the concentration of defects. Numerical calculations are performed using the «ab initio» method for a graphene plane with defects in the zone electronic structure. The analysis of the dependence of the main parameters of the zone electronic structure: the width of the band gap, and the mobility of free charge carriers depending on the concentration and type of defect. The conditions of formation of the forbidden zone in the zone structure are studied. The results obtained are applicable to the analysis of the zone structure of single-wall carbon tubes containing defects.