Influence of Alkali Metal Doping and BN Substitution on the Second-Order Nonlinear Optical Properties of Graphyne: A Theoretical Perspective.
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DOI: 10.1021/acs.inorgchem.2c00970
Abstract: The electronic and nonlinear optical (NLO) properties of BN-substituted graphynes and the corresponding alkali-doped hybrid systems have been determined using density functional theory. When the carbon atoms in the graphyne are replaced by BN pairs,… read more here.
Keywords: alkali; nonlinear optical; metal doping; doping substitution ... See more keywords