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Exploring Librational Pathways with on-the-Fly Machine-Learning Force Fields: Methylammonium Molecules in MAPbX(3) (X = I, Br, Cl) Perovskites
[Image: see text] Two seemingly similar crystal structures of the low-temperature (∼100 K) MAPbX(3) (X = I, Br, Cl) perovskites, but with different relative methylammonium (MA) ordering, have appeared as representatives of this orthorhombic phase. Distinguishing them by X-ray diffraction experiments...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8488963/ https://www.ncbi.nlm.nih.gov/pubmed/34621459 http://dx.doi.org/10.1021/acs.jpcc.1c06835 |