ArticleACS applied materials & interfaces2022
What Happens at Surfaces and Grain Boundaries of Halide Perovskites: Insights from Reactive Molecular Dynamics Simulations of CsPbI
Article in ACS applied materials & interfaces, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed, 49 citations in OpenAlex.
- Defect Passivation Strategies in Halide Perovskite Solar Cells and LEDs.ACS energy letters · 2026Review
- Machine Learning Potentials for Inorganic and Hybrid Lead Halide Perovskites: From Phase Stability to Defects and Interfaces.ACS applied materials & interfaces · 2026Review
- Machine Vision-Enabled Octahedral Network Reconstruction and Structural Analysis of Perovskite Quantum Dots.ACS nano · 2026Article
- Sequential Organic Ligand Modifications to Dedicatedly Restructure Grain Boundary and Surface of Perovskites.Nature communications · 2025Article
- One-Pot Growth of 2D/3D Hybrid Perovskite Vertical Heterostructures.ACS materials letters · 2025Article
- Effect of NaCl on the luminescent behavior of CsI thin films.RSC advances · 2025Article
- Activated Corrosion and Recovery in Lead Mixed-Halide Perovskites Revealed by Dynamic Near-Ambient Pressure X-ray Photoelectron Spectroscopy.Journal of the American Chemical Society · 2025Article
- 2D Phase Formation on 3D Perovskite: Insights from Molecular Stiffness.ACS applied materials & interfaces · 2024Article
- Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations.The journal of physical chemistry. C, Nanomaterials and interfaces · 2024Article
- Compound Defects in Halide Perovskites: A First-Principles Study of CsPbIThe journal of physical chemistry. C, Nanomaterials and interfaces · 2023Article
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Authors and funding
6 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The commercialization of perovskite solar cells is hindered by the poor long-term stability of the metal halide perovskite (MHP) light-absorbing layer. Solution processing, the common fabrication method for MHPs, produces polycrystalline films with a wide variety of defects, such as point defects, surfaces, and grain boundaries. Although the optoelectronic effects of such defects have been widely studied, the evaluation of their impact on the long-term stability remains challenging. In particular, an understanding of the dynamics of degradation reactions at the atomistic scale is lacking. In this work, using reactive force field (ReaxFF) molecular dynamics simulations, we investigate the effects of defects, in the forms of surfaces, surface defects, and grain boundaries, on the stability of the inorganic halide perovskite CsPbI
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.