A morphotropic phase boundary in MA1−x FA x PbI3: linking structure, dynamics, and electronic properties
Abstract Understanding the phase behavior of mixed-cation halide perovskites is critical for optimizing their structural stability and optoelectronic performance. Here, we map the phase diagram of MA1−x FA x PbI3 using a machine-learned interatomic potential in molecular dynamics simulations. We ide...
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| Auteurs principaux: | , , , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Nature Portfolio
2025-10-01
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| Collection: | Nature Communications |
| Accès en ligne: | https://doi.org/10.1038/s41467-025-64526-4 |
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