Comprehensive DFT Study on the Structural, Electronic, Optical, Mechanical, and Thermodynamic Behavior of Lead‐Free AZnX3 (A = Al, Ag; X = Cl, Br) Perovskites for Optoelectronic Applications
ABSTRACT This study offers an in‐depth examination of the physical characteristics of cubic AZnX3 (A = Al, Ag; X = Cl, Br) halide perovskites, conducted through ab initio Density Functional Theory (DFT) calculations. The research indicates that substituting Al with Ag at position A and Cl with Br at...
Kaydedildi:
| Asıl Yazarlar: | , , , |
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| Materyal Türü: | Artigo |
| Dil: | Inglês |
| Baskı/Yayın Bilgisi: |
Wiley
2026-01-01
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| Seri Bilgileri: | Energy Science & Engineering |
| Konular: | |
| Online Erişim: | https://doi.org/10.1002/ese3.70344 |
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