ArticleScience advances2025
Multiple B-site doping suppresses ion migration in halide perovskites.
Article in Science advances, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
What it found
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The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
16 citing papers in PubMed.
- The Fundamentals of Halide Perovskite Instability: CsPbBrNanomaterials (Basel, Switzerland) · 2026Review
- Sterically gated Lewis acid and base pairs enable orthogonal defect passivation in perovskite solar cells.Nature chemistry · 2026Article
- Interfacial Energetics in Metal Halide Perovskite Solar Cells.Chemical reviews · 2026Article
- High-entropy perovskite halides: design principles, properties, and emerging applications.Chemical science · 2026Review
- Progress on Synergistic Enhancement of Perovskite Solar Cell Efficiency and Stability via Defect Engineering and Carrier Dynamics Optimization.Small methods · 2026Review
- Machine Learning-Driven Advances in Perovskite Materials and Solar Cells.Nanomaterials (Basel, Switzerland) · 2026Review
- Dynamic Anion Space Gradient Distribution Drives Wide-Temperature-Range All-Solid-State Lithium-Ion Batteries.Angewandte Chemie (International ed. in English) · 2026Article
- Spin-Dominated Reconstruction Kinetics in Prussian Blue Analog Enables Efficient Seawater Splitting.Angewandte Chemie (International ed. in English) · 2026Article
- Crystallization Pathway Optimization and High-Index Facet Stabilization for Perovskite Photovoltaics.Advanced materials (Deerfield Beach, Fla.) · 2026Article
- Pulsed Laser Deposited CsPbBrSmall (Weinheim an der Bergstrasse, Germany) · 2026Article
- Vacuum-Evaporated, Lead-Free RbYbIAdvanced materials (Deerfield Beach, Fla.) · 2026Article
- Octahedral tilting and B-site off-centering in halide perovskites are not coupled.Nature communications · 2026Article
- Advances of Self-Healing Polymers Incorporated in Perovskite Solar Cells for High Durability.Nano-micro letters · 2026Review
- Multisensory Neuromorphic Devices: From Physics to Integration.Nano-micro letters · 2026Review
- Lead halide perovskite light-emitting diodes: navigating challenges and opportunities for next-generation display and lighting.Frontiers in chemistry · 2026Review
- Dynamical stability and multifunctional properties of NiRSC advances · 2025Article
Corrections and comments
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Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Lead halide perovskites hold great promise for photovoltaics and optoelectronics, yet ion migration continues to challenge their long-term stability. Here, combining first-principles calculations and machine learning molecular dynamics, we unravel the interplay between perovskite octahedral lattice dynamics and energy barrier associated with ion migration. Our results show that B-site substitution, particularly with alkaline-earth and lanthanide elements, notably strengthens lattice interactions, restrains octahedral oscillation, and increases iodine-migration barriers, outperforming the commonly used A-site and X-site substitutions and interstitial doping. Moreover, the enhanced barrier aligns with the geometric factor of μτ (tolerance-octahedral product), underlining the superior effectiveness of co- and multiple-element B-site doping in lattice stabilization and ion migration suppression. Experimental validation with exemplary hysteresis-free Eu-Ca-doped perovskite single crystals demonstrates remarkable improvements in ambient stability and transport properties. These findings highlight B-site engineering as an effective microstructural strategy for controlling ion migration, with important implications for stable and lead-reduced perovskite devices.
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Registered trials
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.