PARACAT

Part of EU Open Research Repository
Published June 20, 2023 | Version 1
Dataset Open

Short-Range Electronic Interactions between Vanadium and Molybdenum in Bimetallic SAPO‑5 Catalysts Revealed by Hyperfine Spectroscopy

Authors/Creators

  • 1. University of Turin
  • 2. Erlangen Center for Interface Research and Catalysis (ECRC), FAU Erlangen-Nürnberg, 91058 Erlangen, Germany
  • 3. Felix Bloch Institute for Solid State Physics, Universität Leipzig, Linnéstr. 5, 04103 Leipzig, Germany

Description

  • Data type: Experimental spectroscopic measurements, Computer Simulation and Analysis
  • Files are with filename extensions: DSC, DTA, and m.
  • Information on origin of the data:
    • EPR spectroscopic measurements with filename extensions DSC and DTA
    • EPR spectroscopic simulation and analyses with filename extension m
  • Are the data generated (e.g. by a machine) or collected (e.g. by means of a survey)?
    • X-band CW-EPR spectroscopic measurements were generated by EMX spectrometer equipped with SHQ cavity produced by Bruker.
    • Q-band Pulsed-EPR spectroscopic measurements were generated by ELEXYS 580 EPR spectrophotometer equipped with ER5106QT cavity and ER035 M NMR gaussmeter produced by Bruker.
  • If the dataset includes multiple files that relate to each other:
    • Files in PARACAT_WP4_20230612_01_CW folder includes CW-EPR spectroscopic measurements and computer simulations/analyses, original data are in DTA/DSC formats; simulations in m format.
    • Files in PARACAT_WP4_20230612_02_Pulse folder includes Pulsed-EPR spectroscopic measurements and computer simulations/analyses, original data are in DTA/DSC formats; files in m format were used to process the data.
  • Information on:
    • specialized abbreviations: EPR – Electron Paramagnetic Resonance, CW – Continuous Wave EPR, HYSCORE – HYperfine Sublevel CORrelation spectroscopy
    • definitions of variables: Magnetic field, Temperature
    • units of measurement: Gauss (G), K

Notes

 The DSC/DTA files can be opened on proprietary EPR softwares from Bruker or MatLab (version R2022a used by the authors) with EasySpin toolbox (version 6.0.0-dev.48 used by the authors)  The simulation/analysis of EPR measurements can be opened and run on MatLab (version R2022a used by the authors) with EasySpin toolbox (version 6.0.0-dev.48 used by the authors)  If it is not possible to make the code and software openly available on Zenodo: 1. MatLab can be purchased/downloaded from: https://www.mathworks.com/products/matlab.html 2. EasySpin toolbox can be downloaded from: https://easyspin.org/

Files

Files (7.3 MB)

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md5:17e16ebcc869b9c0ded987a48aff7a84
7.3 MB Download

Additional details

Related works

Is supplement to
Journal article: 10.1021/acs.jpcc.3c01817 (DOI)

Funding

European Commission
PARACAT - Paramagnetic Species in Catalysis Research. A Unified Approach Towards Heterogeneous, Homogeneous and Enzyme Catalysis 813209