Abstract:Defects in graphene alter its structure, electrical characteristics, and interaction with K+ ions. The related characteristics of divacancy defect graphene and N, S codoped divacancy graphene were effectively explored using the DFTB technique. Divacancy is essential for the band gap opening. The dopants considerably enhance the density of state (DOS) intensity and alter the graphene-character bands. The depletion of density caused by the dopant is seen on the charge density isosurface. Because the charge of t… Show more
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