Defect and carrier characteristics of chalcogenide perovskite BaZrS 3 under thermodynamic stability: a first-principles study for photovoltaic application

RSC Advances 2026 Open access

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Authors: Qinmiao Chen, Yi Ni, Yufei Wang
DOI: 10.1039/d5ra07387a
Cited by: 2
References: 86

Abstract

Defect evolution characteristics following chemical potential change under stable BaZrS 3 are important for the controllable preparation of high-quality films or devices.

Fields of Study & Subjects

Perovskite Materials and Applications Chalcogenide Semiconductor Thin Films Machine Learning in Materials Science

Publication details

Journal / source
RSC Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
16
Issue
7
Pages
6677–6688
Publication date
1 January 2026
Language
EN