Toward Efficient and Sustainable Perovskite Solar Cells: A Combined First-Principles and Device Simulation Study of K₂LiGa(Cl/Br)₆ for Photovoltaic Performance Optimization

Jubaer Ahmod Shakil Shakil; Shassatha Paul Saikat; Niloy Bhattacharjee; Md. Rashidur Rahman; Shukanta Bhowmik; Mayeen Uddin Khandaker; Jamal Uddin; Faisal I. Chowdhury

doi:10.1039/d6ma00207b

January 1, 2026Materials AdvancesOpen Access

Toward Efficient and Sustainable Perovskite Solar Cells: A Combined First-Principles and Device Simulation Study of K₂LiGa(Cl/Br)₆ for Photovoltaic Performance Optimization

View Full Paper

Ask AI

Bookmark

Share

Key Points

This work aims to optimize the photovoltaic performance of lead-free double halide perovskites K2LiGaCl6 and K2LiGaBr6 using computational methods.
Utilized density functional theory (DFT) for material analysis
Employed SCAPS-1D simulations for device performance modeling
Focused on lead-free double halide perovskites as photovoltaic absorbers
Identified optimal structural properties for improved efficiency in K2LiGaCl6 and K2LiGaBr6.
Demonstrated significant potential for lead-free perovskites in solar applications through simulation outcomes.

Implication

Combined computational framework explores photovoltaic performance optimization in K2LiGaCl6 and K2LiGaBr6, suggesting promising applications.

Abstract

This work employs an integrated computational framework combining density functional theory (DFT) and SCAPS-1D device simulations to investigate the lead-free double halide perovskites K2LiGaCl6 and K2LiGaBr6 as potential photovoltaic absorbers....

Discussion

No takes yet. Share an insight, caveat, or question.

Cite This Study

Shakil et al. (2026) studied this question.

synapsesocial.com/papers/6a2cf701faef96ed7f0588f5 https://doi.org/10.1039/d6ma00207b

View Full Paper

Ask AI

Bookmark

Share

Toward Efficient and Sustainable Perovskite Solar Cells: A Combined First-Principles and Device Simulation Study of K₂LiGa(Cl/Br)₆ for Photovoltaic Performance Optimization

Key Points

Implication

Abstract

Discussion

Cite This Study

Toward Efficient and Sustainable Perovskite Solar Cells: A Combined First-Principles and Device Simulation Study of K₂LiGa(Cl/Br)₆ for Photovoltaic Performance Optimization

Key Points

Implication

Abstract

Discussion

Cite This Study

Keep reading

Keep reading