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Keyword: Band gap modification

Effect of BN nanodots on the electronic properties of α- and β-graphyne sheets: a density functional theory study

AbstractThe effect of BN nanodots with hexagonal shape on the electronic properties of α- and β-graphyne sheets is investigated. The structural and electronic properties of α- and β-graphyne sheets doped with BN nanodots are studied by using density functional theory. The cohesive energies of the systems indicate all considered structures are thermally stable. It is […]