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...

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Detalles Bibliográficos
Autores principales: Jehan, Aiman, Husain, Mudasser, Tirth, Vineet, Algahtani, Ali, Uzair, Muhammad, Rahman, Nasir, Khan, Aurangzeb, Khan, Saima Naz
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10520921/
https://www.ncbi.nlm.nih.gov/pubmed/37766934
http://dx.doi.org/10.1039/d3ra04922a

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