The influence of Sc doping on structural, electronic and optical properties of Be12O12, Mg12O12 and Ca12O12 nanocages: a DFT study
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DOI: 10.1007/s00894-017-3243-x
Abstract: Density functional theory (DFT) calculations were used to study the effect of scandium doping on the structural, energetic, electronic, linear and nonlinear optical (NLO) properties of Be12O12, Mg12O12 and Ca12O12 nanoclusters. Scandium (Sc) doping on… read more here.
Keywords: properties be12o12; mg12o12 ca12o12; electronic optical; optical properties ... See more keywords