First-principle study of graphyne-like BN sheet: Electronic structure and optical properties
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DOI: 10.1016/j.commatsci.2017.04.006
Abstract: Abstract The stability, electronic and optical properties of α-, β-, γ- and 6,6,12-graphyne-like BN sheets (labeled as BNyne) are systematically investigated by the first-principles calculations based on density functional theory (DFT). The combination of phonon… read more here.
Keywords: study graphyne; first principle; graphyne like; optical properties ... See more keywords