Highly efficient and stable lead-free cesium copper halide perovskites for optoelectronic applications: A DFT based study

Highly efficient and stable lead-free cesium copper halide perovskites for optoelectronic applications: A DFT based study

Recently synthesized industrially significant perovskites Cs3Cu2X5 (X=Cl,Br,I) are subjected to a density functional theory (DFT) investigation utilizing the CASTEP code. This study explores various physical features, including structural, optical, thermodynamic, elastic, mechanical, and electronic...

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Bibliographic Details
Main Authors: Md Lokman Ali, Mithun Khan, Md Abdullah Al Asad, Md Zahidur Rahaman
Format: Article
Language:English
Published: Elsevier 2023-08-01
Series:Heliyon
Subjects:
First-principles calculations
Structural properties
Optical properties
Electronic properties
Mechanical properties
Thermodynamic properties
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844023060243

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