Journal of Theoretical and Applied Physics (JTAP) Effect of BN nanodots on the electronic properties of α- and β-graphyne sheets: a density functional theory study Volume 13, 2019 Issue 4, November and December 2019 2023 11 17 Effect of BN nanodots on the electronic properties of α- and β-graphyne sheets: a density functional theory study 10.1007/s40094-019-00353-5 EN R. Majidi Department of Physics, Shahid Rajaee Teacher Training University, Lavizan, Tehran, Iran H. Eftekhari Department of Physics, Science and Research Branch, Islamic Azad University, Tehran, Iran H. Bayat Department of Physics, Shahid Rajaee Teacher Training University, Lavizan, Tehran, Iran Kh. Rahmani Department of Chemistry, Kabul Polytechnic University, Kabul, Afghanistan A. M. Khairogli Department of Chemistry, Faryab University, Maymana, Faryab, Afghanistan Journal Article 2023 11 17 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 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.