First-principles simulation insights of electronic and optical properties: Li(6)PS(5)Cl system

We perform the electronic and optical properties of the Li(6)PS(5)Cl compound using first-principles calculation. The featured physical and chemical pictures and orbital hybridizations in all Li–S and P–S chemical bonds are clearly exhibited, such as the optimized geometry, the quasi-particle energy...

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Detalles Bibliográficos
Autores principales: Han, Nguyen Thi, Bang-Li, Wei, Lin, Kuang-I., Dien, Vo Khuong, Lin, Ming-Fa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9661960/
https://www.ncbi.nlm.nih.gov/pubmed/36425692
http://dx.doi.org/10.1039/d2ra05900b

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9661960/
https://www.ncbi.nlm.nih.gov/pubmed/36425692
http://dx.doi.org/10.1039/d2ra05900b

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