Quantitative electronic structure and work-function changes of liquid water induced by solute - data

Data set pertaining to the article "Quantitative electronic structure and work-function changes of liquid water induced by solute" | Physical Chemistry Chemical Physics, 24, 1310 (2022).

Files with extension .h5 are hdf5-files structured according to the NeXus standard v2022.07 using the NXmpes user contributed format suggested by the Fairmat consortium, see
https://www.nexusformat.org/
https://fairmat-experimental.github.io/nexus-fairmat-proposal/50433d9039b3f33299bab338998acb5335cd8951/mpes-structure.html
A few extensions specific to liquid jet-experiments were added to the standard, and are explained in the notes-group on the top level of each file.
NeXus data files can be opened with any software capable of opening hdf5-structured 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').

Files with extension .txt are comma-separated ascii-files.
The following files are provided:

Photoemission data pertaining to solute measurements using the cut-off as energy reference:
NaI_data.h5
tbai_data.h5

Biased spectra were typically recorded in the following order:
[cut-off (fine), cut-off (coarse), (valence band)*(N repeats)]*(M repeats)
To avoid the saving of overly complex hdf5-files, these data were saved in a different order, namely:
[cut-off (fine)*(M repeats), cut-off (coarse)*(M repeats), (valence band)*(N*M repeats)].

Numeric representations of the traces shown in the article's figures:
Figure_1a-data.txt
Figure_1b-data.txt
Figure_2a-data.txt
Figure_2b-data.txt
Figure_2c-data.txt
Figure_3-data.txt
Figure_4-data.txt
Figure_5a-data.txt
Figure_5b-data.txt
Figure_6a-data.txt
Figure_6b-data.txt
Figure_6c-data.txt
Figure_7_diff_spectra-data.txt
Figure_8-data.txt

Traces shown in several figures are included only in the data file pertaining to the figure in which they occur first.

Contact: Uwe Hergenhahn, [e-mail] .