Toward efficient and sustainable perovskite solar cells: a combined first-principles and device simulation study of K 2 LiGa(Cl/Br) 6 for photovoltaic performance optimization

Materials Advances 2026 Open access

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Authors: 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
Cited by: 1
References: 133

Abstract

An integrated computational framework combining density functional theory (DFT) and SCAPS-1D device simulations was used in this work to investigate the lead-free double halide perovskites K 2 LiGaCl 6 and K 2 LiGaBr 6 as potential photovoltaic absorbers.

Fields of Study & Subjects

Perovskite Materials and Applications Machine Learning in Materials Science Chemical and Physical Properties of Materials

Publication details

Journal / source
Materials Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
7
Issue
14
Pages
7084–7105
Publication date
1 January 2026
Language
EN