The 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 found that hexagonal BN nanodots can effectively open the band gap in α-and β-graphyne sheets. It means BN nanodots change α-and β-graphyne sheets from semimetal to semiconductor. The BN nanodots with different sizes are considered. It is found that band gaps of the studied α-and β-graphyne sheets doped with BN nanodots increase with the increase in the size of BN nanodots. Hence, α-and β-graphyne sheets doped with BN nanodots are promising materials for use in nanoelectronic devices based on semiconductors.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.