Probing Aqueous Ions with Non-local Auger Relaxation - data
DOI10.5281/zenodo.7289832Zenodo7289832MaRDI QIDQ6722347FDOQ6722347
Dataset published at Zenodo repository.
Denis Céolin, Isaak Unger, Gunnar Öhrwall, Iain Wilkinson, Carl Caleman, Geethanjali Gopakumar, Florian Trinter, Bernd Winter, Petr Slavíček, Uwe Hergenhahn, Filippo Lipparini, Sebastian Malerz, Eva Muchová, Olle Björneholm, Benedetta Mennucci
Publication date: 21 March 2022
Copyright license: Creative Commons Attribution 4.0 International
Data set pertaining to the article Probing aqueous ions with non-local Auger relaxation | Physical Chemistry Chemical Physics, 24, 8661-8671 (2022). doi: 10.1039/D2CP00227B. Files with extension .h5 are hdf5-files structured according to the NeXus standard v2022.06, see https://www.nexusformat.org/ https://fairmat-experimental.github.io/nexus-fairmat-proposal/50433d9039b3f33299bab338998acb5335cd8951/mpes-structure.html NeXus data files can be opened with any software capable of opening hdf5-files. The following viewers are adapted to the specifics of the NeXus data format: * nexpy (distributed with python) * https://h5web.panosc.eu/h5wasm (web-based NeXus viewer maintained by the European Photon and Neutron Open Science Cloud-consortium) In each NeXus file-entry, two types of spectra are shown: 1. Sweep-averaged spectra integrated over the non-dispersive coordinate of our detector (data). 2. As-measured data (raw). The following files are provided: Photoemission data pertaining to ICD measurements, and to 1s spectra shown in Supplementary Fig. S2 (Na, Al): ICD_data.na.h5 ICD_data.mg.h5 ICD_data.al.h5 Photon energy corrections are applied as explained in the article and Supplementary Material, kinetic energy correction is applied to the dataset data. Calibration data: calibration_data.p04.h5 : Mostly photon energy calibration for ICD spectra. calibration_data.bessy.mg.h5 : Spectra measured at BESSY for MgCl2 Mg 1s binding energy calibration. calibration_data.bessy.al.h5 : Spectra measured at BESSY for AlCl3 Al 1s binding energy calibration. calibration_data.p04.add.h5 : Additional spectra for cross-checking binding energy calibration, measured at DESY P04. All calibration spectra are included as-measured. A binding energy axis, shown for some spectra, is derived as implied from the uncalibrated photon and kinetic energies. Contact: Uwe Hergenhahn, uhe@fhi.mpg.de . v2 release notes A number of minor errors in the metadata and .hdf5-structure of the v1 dataset were corrected. The data themselves are unaffected. * Names of NXdata-groups now agree to NXmpes naming-convention, * incorrect value of photon energy correction of Al ICD data fixed (ICD_data.al.h5), * proposal numbers added to metadata, * measurements on pure water solution designated as calibration.
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