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Research on Molecular Structure and Electronic Properties of Ln(3+) (Ce(3+), Tb(3+), Pr(3+))/Li(+) and Eu(2+) Co-Doped Sr(2)Si(5)N(8) via DFT Calculation
We use density functional theory (DFT) to study the molecular structure and electronic band structure of Sr(2)Si(5)N(8):Eu(2+) doped with trivalent lanthanides (Ln(3+) = Ce(3+), Tb(3+), Pr(3+)). Li(+) was used as a charge compensator for the charge imbalance caused by the partial replacement of Sr(2...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8037467/ https://www.ncbi.nlm.nih.gov/pubmed/33806037 http://dx.doi.org/10.3390/molecules26071849 |