Published February 5, 2024
| Version v1
Dataset
Open
Data for Axial–Equatorial Halide Ordering in Layered Hybrid Perovskites from Isotropic–Anisotropic 207Pb NMR
Creators
- 1. EPFL
-
2.
École Polytechnique Fédérale de Lausanne
- 3. Eindhoven University of Technology
Description
Supporting data for Axial–Equatorial Halide Ordering in Layered Hybrid Perovskites from Isotropic–Anisotropic 207Pb NMR
Raw and processed 207Pb NMR and XRD data for BA2PbX4 and FAPbX3 where X is iodide, bromide, or a mixture of the two. BA = butylammonium, FA = formamidinium. DFT calculations of 207Pb shielding for different mixed-halide unit cells of BA2PbX4, and the python notebooks used for fitting the 207Pb PASS spectra.
See README.txt for more details.
Files
207Pb_PASS_fitting_python_notebooks.zip
Files
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Additional details
Related works
- Is documented by
- Publication: 10.1002/anie.202314856 (DOI)