Published July 25, 2022
| Version v1
Dataset
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Raw data for "Interplay of Kinetic and Thermodynamic Reaction Control Explains Incorporation of Dimethylammonium Iodide into CsPbI3"
Authors/Creators
- 1. Laboratory of Magnetic Resonance, Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne, Switzerland
- 2. Department of Physics, University of Warwick, CV4 7AL, Coventry, United Kingdom
- 3. Laboratory of Computational Chemistry and Biochemistry, Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne, Switzerland
- 4. Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw, Poland
- 5. Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, United Kingdom
Description
Raw solid-state NMR and XRD data, and input files for DFT and MD calculations shown in https://doi.org/10.1021/acsenergylett.2c00877
Files
Raw data.zip
Files
(109.6 MB)
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Additional details
Funding
- Swiss National Science Foundation
- Extending NMR crystallography to complex non-crystalline materials 200020_178860
- Swiss National Science Foundation
- Next-Generation Multiscale Molecular Dynamics: Promoting Computational Chemistry with Artificial Intelligence 200020_185092
- National Science Centre
- Grant SONATA BIS 10 2020/38/E/ST5/00267