Article ID Journal Published Year Pages File Type
5355804 Applied Surface Science 2016 12 Pages PDF
Abstract

- Encapsulation of Li, Na and K narrow the HOMO-LUMO gaps of the clusters.
- The group III nitrides nanoclusters strongly interacted with the alkali metals.
- First hyperpolarizabilities remarkably enhance for B12N12 encapsulated with Na/K.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Theoretical assessment of the electro-optical features of the group III nitrides (B12N12, Al12N12 and Ga12N12) and group IV carbides (C24, Si12C12 and Ge12C12) nanoclusters encapsulated with alkali metals (Li, Na and K)
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