Zirconium-based cubic-perovskite materials for photocatalytic solar cell applications: a DFT study

The structural, electronic, optical, and mechanical characteristics of the cubic inorganic perovskites XZrO(3) (X = Rb and K) based on Rb and K were studied using Cambridge Serial Total Energy Package (CASTEP)-based density functional theory (DFT) via the ultrasoft pseudo-potential (USP) plane wave...

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Detalles Bibliográficos
Autores principales: Shahzad, Muhammad Khuram, Mujtaba, Syed Taqveem, Hussain, Shoukat, Rehman, Jalil Ur, Farooq, Muhammad Umair, Khan, Muhammad Aslam, Tahir, Muhammad Bilal, Mahmood, Muhammad Ali
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/PMC9514018/
https://www.ncbi.nlm.nih.gov/pubmed/36276033
http://dx.doi.org/10.1039/d2ra03218j

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9514018/
https://www.ncbi.nlm.nih.gov/pubmed/36276033
http://dx.doi.org/10.1039/d2ra03218j

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