High-throughput screening of piezoelectric hybrid organic–inorganic perovskites via density-functional theory and machine learning

Journal of Materials Chemistry A 2026

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Authors: Jianxin He, Tianle Yue, Yu Lim Kim, Ying Li
DOI: 10.1039/d6ta02101h
Cited by: 1
References: 57

Abstract

We establish a “distribution-aware” density functional theory-machine learning workflow for scalable discovery of high-performance and flexible piezoelectric hybrid organic–inorganic perovskites.

Fields of Study & Subjects

Perovskite Materials and Applications Machine Learning in Materials Science Advanced Sensor and Energy Harvesting Materials

Publication details

Journal / source
Journal of Materials Chemistry A
Publisher
Royal Society of Chemistry (RSC)
Volume
14
Issue
37
Pages
24610–24623
Publication date
1 January 2026
Language
EN