DOI: 10.5281/zenodo.15805533
title: Strongly Enhanced Cooperative Surface Propensity of Atmospherically Relevant Organic Molecular Ions in Aqueous Solution - data

description: Dataset pertaining to the manuscript "Boosting aerosol surface effects: strongly enhanced cooperative surface propensity of atmospherically relevant organic molecular ions in aqueous solution", published in Atmos. Chem. Phys., 25, 3503–3518, 2025. Using liquid-jet photoelectron spectroscopy, we investigate the surface propensity of various carbonaceous species in aqueous solution. We cover a range of substances relevant to atmospheric climate models. Here we give the data of Fig.s 1-3 of our manuscript in numeric form, and document the underlying photoemission spectra including all relevant metadata.

Experimental data are documented in the NeXus format (extension .nxs). For a description see:The NeXus Data Format definition (v2024.02), https://manual.nexusformat.org/index.htmlNXmpes expansion for FAIRmat data (v.2024.07), https://fairmat-nfdi.github.io/nexus_definitions/classes/contributed_definitions/NXmpes.htmlNXmpes_liquid expansion to NXmpes (v.2024.07), https://fairmat-nfdi.github.io/nexus_definitions/mpes-liquid/classes/contributed_definitions/NXmpes_liquid.html

The following files are provided:'Data Collection_Core.nxs'  -  Photoemission data, core level spectra'Data Collection_Valence.nxs'  -  Photoemission data, valence spectra

Ascii data of figures 1a, 2 and 3:'Figure 1 data.txt''Figure 2 data.txt''Figure 3 data.txt'

Contact person for questions regarding this data set: Uwe Hergenhahn, uhe@fhi.mpg.de . If you use these data for your scientific work we kindly ask you to send us a copy of your published results.

Acknowledgements: We acknowledge DESY (Hamburg, Germany), a member of the Helmholtz Association HGF, for the provision of experimental facilities. Parts of this research were carried out at PETRA III, and we would like to thank Moritz Hoesch and his team for assistance in using beamline P04. Beamtime was allocated for proposal I-20220937 EC. Harmanjot Kaur and Bernd Winter acknowledge the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 883759, AQUACHIRAL). Stephan Thürmer acknowledges support from JSPS KAKENHI (grant no. JP20K15229) and ISHIZUE 2024 of Kyoto University. Florian Trinter acknowledges funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) – project 509471550, Emmy Noether Programme. Florian Trinter and Bernd Winter acknowledge support by the MaxWater initiative of the Max-Planck-Gesellschaft. Olle Björneholm acknowledges support from the Swedish Research Council (VR) through project 2023-04346 and the Swedish Foundation for International Cooperation in Research and Higher Education (STINT) through project 202100-2932. Ricardo Marinho, Joel Pinheiro, and Arnaldo Naves de Brito acknowledge support from the Swedish–Brazilian collaboration STINT-CAPES (process no. 88881.465527/2019-01). Arnaldo Naves de Brito acknowledges support from FAPESP (the São Paulo Research Foundation, process no. 2017/11986-5), Shell and ANP (Brazil’s National Oil, Natural Gas and Biofuels Agency), and CNPq-Brazil (process no. 401581/2016-0). Harmanjot Kaur and Shirin Gholami acknowledge support by the IMPRS for Elementary Processes in Physical Chemistry.

Financial support: This research has been supported by the European Research Council, Horizon Europe (grant no. 883759); the Japan Society for the Promotion of Science (grant no. JP20K15229); the Deutsche Forschungsgemeinschaft (grant no. 509471550); the Vetenskapsrådet (grant no. 2023-04346), the Swedish Foundation for International Cooperation in Research and Higher Education (grant no. 202100-2932); the Fundação de Amparo à Pesquisa do Estado de São Paulo (grant no. 2017/11986- 5); and the Conselho Nacional de Desenvolvimento Científico e Tecnológico (grant no. 401581/2016-0).

Version history:1 - initial release2 - numbering of figures adapted to published version, photoemission data added.