Cargando…
Investigation of the structural, electronic, mechanical, and optical properties of NaXCl(3) (X = Be, Mg) using density functional theory
In our pursuit of enhancing material performance, our focus is centered on the investigation of sodium-based halide perovskites, specifically NaXCl(3) (where X = Be & Mg). We are utilizing first-principles methods based on density functional theory (DFT) to delve into these materials' prope...
| Autores principales: | , , , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2023
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10520921/ https://www.ncbi.nlm.nih.gov/pubmed/37766934 http://dx.doi.org/10.1039/d3ra04922a |