Electronic, phononic, and thermoelectric properties of graphyne sheets

摘要: Electron, phonon, and thermoelectric transport properties of α-, β-, γ-, 6,6,12-graphyne sheets are compared contrasted with those graphene. 6,6,12-graphynes, direction dependent Dirac dispersions, have higher electronic transmittance than γ-graphyne also attains better electrical conduction graphene except at its band gap. Vibrationally, conducts heat much more efficiently graphynes, a behavior beyond an atomic density differences explanation. Seebeck coefficients the considered materials similar but power factors decrease increasing effective speeds light. yields highest efficiency figure merit as high ZT = 0.45, almost order magnitude that