This research aims to analyze the optoelectronic and thermoelectric properties of lead-free double perovskites. The focus is on finding stable and safe alternatives to lead-based materials.
Utilized density functional theory (DFT) to evaluate material properties.
Conducted a comparative analysis of Cs2/Rb2LiGaCl6 structure.
Assessed thermal and electronic performance metrics.
Identified Cs2/Rb2LiGaCl6 exhibits superior optoelectronic properties with a band gap suitable for energy applications.
Demonstrated significant thermoelectric efficiency in comparison to lead-based alternatives.
Abstract
The growing demand for environmentally safe and stable alternatives to lead-based halide perovskites has stimulated extensive research into lead-free double perovskites for energy applications.