ArticleThe journal of physical chemistry letters2024
Ion Migration at Metal Halide Perovskite Grain Boundaries Elucidated with a Machine Learning Force Field.
Article in The journal of physical chemistry letters, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
What it found
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Who cites it
7 citing papers in PubMed.
- Machine Learning-Driven Advances in Perovskite Materials and Solar Cells.Nanomaterials (Basel, Switzerland) · 2026Review
- Grain-Size-Controlled Resistive Switching Memories Enabling Domain-Specific Functionality for Real-Time Video Signal Processing.Small (Weinheim an der Bergstrasse, Germany) · 2026Article
- Ion Migration in Two-Dimensional Organic-Inorganic Hybrid Perovskite Heterostructures: Interface Evolution, Migration Mechanisms and Device Implications.Nanomaterials (Basel, Switzerland) · 2026Review
- Machine Learning Potentials for Inorganic and Hybrid Lead Halide Perovskites: From Phase Stability to Defects and Interfaces.ACS applied materials & interfaces · 2026Review
- Artificial Intelligence for Perovskite Additive Engineering: From Molecular Screening to Autonomous Discovery.Molecules (Basel, Switzerland) · 2026Review
- Tracing Ion Migration in Halide Perovskites with Machine Learned Force Fields.The journal of physical chemistry letters · 2025Article
- Atomistic Origin of Microsecond Carrier Lifetimes at Perovskite Grain Boundaries: Machine Learning-Assisted Nonadiabatic Molecular Dynamics.Journal of the American Chemical Society · 2025Article
Corrections and comments
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Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Metal halide perovskites are promising optoelectronic materials with excellent defect tolerance in carrier recombination, believed to arise largely from their unique soft lattices. However, weak lattice interactions also promote ion migration, leading to serious stability issues. Grain boundaries (GBs) have been experimentally identified as the primary migration channels, but the relevant mechanism remains elusive. Using molecular dynamics with a machine learning force field, we directly model ion migration at a common CsPbBr
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Registered trials
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