Published March 25, 2022 | Version V4 - 22/02/2022
Dataset Open

Dataset of "Atomic-level description of thermal fluctuations in inorganic lead halide perovskites" publication

  • 1. École Polytechnique Fédérale de Lausanne, Laboratory of Ultrafast Spectroscopy (LSU) and Lausanne Centre for Ultrafast Science (LACUS), CH-1015 Lausanne, Switzerland
  • 2. Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden
  • 3. Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institute, CH-5232 Villigen-PSI, Switzerland and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland
  • 4. École Polytechnique Fédérale de Lausanne, Laboratory of Ultrafast Spectroscopy (LSU) and Lausanne Centre for Ultrafast Science (LACUS), CH-1015 Lausanne, Switzerland and LabCri, Universidade Federal de Minas Gerais, Belo Horizonte, Brazil
  • 5. École Polytechnique Fédérale de Lausanne, Laboratory of Ultrafast Spectroscopy (LSU) and Lausanne Centre for Ultrafast Science (LACUS), CH-1015 Lausanne, Switzerland and Paul Scherrer Institute (PSI), 5232 Villigen, Switzerland
  • 6. Paul Scherrer Institute (PSI), 5232 Villigen, Switzerland
  • 7. Institute of Inorganic Chemistry, Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir Prelog Weg 1, CH-8093 Zürich, Switzerland and Laboratory for Thin Films and Photovoltaics, Empa-Swiss Federal Laboratories for Materials Science and Technology, CH-8600 Dübendorf, Switzerland
  • 8. Chair of Atomic Scale Simulation (CSEA), École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland
  • 9. Department of Physics, University of Pavia, I-27100 Pavia, Italy

Description

The "Zenodo_22-02-2022.zip" file contains a "files" folder and a jupyter notebook to plot the figures reported in the publication. The "files" folder contains several subfolders with the txt files required to plot the figures.

The "XAS_simulations.zip" file contains a README.txt and few subfolders with input and output files needed to reproduce the XAS simulations. The README.txt explains the structure of the archive and the content of each subfolders.

Files

XAS_simulations.zip

Files (92.9 MB)

Name Size Download all
md5:a62aada63cf3ffc5da97594069e4d1ee
79.9 MB Preview Download
md5:47b3f4013044ba640c2acf848c75a393
13.0 MB Preview Download

Additional details

Funding

ULTRAIMAGE – Advanced EUV/soft X-ray microscopy in the ultrafast regime: imaging functionality of nanomaterials across length scales 851154
European Commission
POLLOC – Polariton logic 899141
European Commission
DYNAMOX – Charge carrier dynamics in metal oxides 695197
European Commission

References

  • Cannelli, Oliviero, et al. "Atomic-level description of thermal fluctuations in inorganic lead halide perovskites." The journal of physical chemistry letters 13.15 (2022): 3382-3391.