First row transition metals decorated boron phosphide nanoclusters as nonlinear optical materials with high thermodynamic stability and enhanced electronic properties; A detailed quantum chemical study
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DOI: 10.1016/j.optlastec.2020.106570
Abstract: Abstract Electronic as well as nonlinear optical properties (first hyperpolarizabilities) of boron phosphide nanoclusters doped with first row transition metals (Sc–Zn) are explored using density functional theory (DFT) calculations. Four different doping sites (b64, b66,… read more here.
Keywords: boron phosphide; first row; transition metals; nonlinear optical ... See more keywords