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...

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Bibliografske podrobnosti

Principais autores:	Mushfique Azad Takin, Md Shoab Uddin, Umme Humayra Anuva, Md. Rabbi Talukder
Format:	Artigo
Jezik:	Inglês
Izdano:	Wiley 2026-01-01
Serija:	Energy Science & Engineering
Teme:	novel perovskites optical properties optoelectronic devices solar cells stability
Online dostop:	https://doi.org/10.1002/ese3.70344
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