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Mechanical Stability and Energy Gap Evolution in Cs-Based Ag, Bi Halide Double Perovskites under High Pressure: A Theoretical DFT Approach
[Image: see text] Due to their intrinsic stability and reduced toxicity, lead-free halide double perovskite semiconductors have become potential alternatives to lead-based perovskites. In the present study, we used density functional theory simulations to investigate the mechanical stability and ban...
Autores principales: | Parrey, Ismahan Duz, Bilican, Fuat, Kursun, Celal, Kart, Hasan Huseyin, Parrey, Khursheed Ahmad |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10373459/ https://www.ncbi.nlm.nih.gov/pubmed/37521658 http://dx.doi.org/10.1021/acsomega.3c03469 |
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