Published November 19, 2021
| Version v1
Dataset
Open
Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study
Authors/Creators
- 1. Departamento de Física Aplicada I, Escuela Politécnica Superior, University of Seville
- 2. Department of Chemistry, University of Reading
- 3. Departamento de Física, Facultad de Ciencias Naturales, Matemática y del Medio Ambiente (FCNMM), Universidad Tecnológica Metropolitana
- 4. SciML, Scientific Computing Division, Rutherford Appleton Laboratory
Description
Data of a molecular dynamics simulation of the mixed cation and mixed halide perovskite (FAPbI3)0.875(MAPbBr3)0.125 , as well as the end compounds FAPbI3 and MAPbBr3.
Related article:
J. Mater. Chem. A, 2022,10, 9592-9603, https://doi.org/10.1039/D1TA10860C
arXiv:2112.09795 [cond-mat.mtrl-sci] arXiv: 2112.09795 https://doi.org/10.48550/arXiv.2112.09795
Notes
Original deposit in https://doi.org/10.34691/FK2/PXNHBG
Files
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Additional details
Related works
- Is described by
- Journal article: 10.1039/D1TA10860C (DOI)
- Preprint: 10.48550/arXiv.2112.09795 (DOI)
- Obsoletes
- Dataset: 10.34691/FK2/PXNHBG (DOI)