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Published March 21, 2022 | Version 1

Probing Aqueous Ions with Non-local Auger Relaxation - data

Description

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.

Notes

Related funding organizations and grants: MaxWater initiative of the Max-Planck-Gesellschaft; Czech Science Foundation, project number 21-26601X (EXPRO project); European Structural and Investment Funds, OP RDE-funded project 'CHEMFELLS III' (CZ.02.2.69/0.0/0.0/19_074/0014006); Swedish Research Council (VR), projects VR 2017-04162 and 2018-00740; Helmholtz Association through the Center for Free-Electron Laser Science at DESY.

Files

Files (41.4 MB)

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md5:c418e13d273e2672f4250fbf9fc93ea5
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md5:6624b7bf48c2298c19ea3203ba3398d6
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md5:a597db33032c92c0b5b80205457fdf2e
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md5:6ada02dee8d2ddd1a54af9812f6e732e
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md5:9bb0a67997d67b61e623763a2c7055fc
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Additional details

Related works

Is cited by
Journal article: 10.1039/D2CP00227B (DOI)

Funding

European Commission
AQUACHIRAL - Chiral aqueous-phase chemistry 883759