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Theoretical Study of Alkaline-Earth Metal (Be, Mg, and Ca)-Substituted Aluminum Nitride Nanocages With High Stability and Large Nonlinear Optical Responses
By replacing one Al or N atom of aluminum nitride nanocage Al(12)N(12) with an alkaline-earth metal atom, two series of compounds, namely, M@Al(12)N(11) and M@Al(11)N(12) (M = Be, Mg, and Ca), were constructed and investigated in theory. The substituted effect of alkaline-earth metal on the geometri...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9255637/ https://www.ncbi.nlm.nih.gov/pubmed/35800031 http://dx.doi.org/10.3389/fchem.2022.918704 |