DOI:             10.7795/720.20250710
resource type:   ResearchData / Dataset
title:           Ex-Situ and Operando NEXAFS Spectra of Organo-Sulfur Compounds
description:     This dataset includes operando Near-Edge X-ray Absorption Fine Structure (NEXAFS) spectra of lithium organo-sulfur battery half-cells during Cyclic Voltammetry (CV), as well as ex-situ NEXAFS spectra of organo-sulfur compounds and polymer networks.
		 All NEXAFS spectra were taken in fluorescence mode using energy-dispersive silicon drift detectors (SDD) in the PTB laboratory at BESSY II.
		 The operando NEXAFS spectra of lithium organo-sulfur battery half-cells were taken at the Four Crystal Monochromator (FCM) beamline using Si (111) crystals with a fluorescence detection angle of 60 °.
		 CV was performed with a BioLogic VSP potentiostat.
		 The ex-situ NEXAFS spectra of organo-sulfur compounds and polymer networks were taken at the Tender X-ray MicroFocus (MiFo) beamline, operated in Double Crystal Monochromator (DCM) mode using Si (111) crystals with a fluorescence detection angle of 90 °.
		 
		 The file names include the measurement technique (CV or NEXAFS) followed by the sample name and, if applicable, further keywords like "powder" for powder samples or "operando" for operando measurements.
related objects: 
creators:
  - given name:  Konstantin
    family name: Skudler
    ORCID:       https://orcid.org/0009-0003-3981-5709
    Affiliation: "Physikalisch-Technische Bundesanstalt (PTB), Berlin, Germany"
    PTB FB:      "Fachbereich 7.2 Röntgenmesstechnik mit Synchrotronstrahlung"
  - given name:  Hongfei
    family name: Yang
    ORCID:       https://orcid.org/0009-0003-5146-2766
    Affiliation: "Physikalisch-Technische Bundesanstalt (PTB), Berlin, Germany"
    PTB FB:      "Fachbereich 7.2 Röntgenmesstechnik mit Synchrotronstrahlung"
  - given name:  Rukiya
    family name: Matsidik
    ORCID:       https://orcid.org/0000-0002-3535-1076
    Affiliation: "Technische Universität Chemnitz (TUC), Institut für Chemie, Chemnitz, Germany"
  - given name:  Matthias
    family name: Müller
    ORCID:       https://orcid.org/0000-0003-0115-7854
    Affiliation: "Physikalisch-Technische Bundesanstalt (PTB), Berlin, Germany"
    PTB FB:      "Fachbereich 7.2 Röntgenmesstechnik mit Synchrotronstrahlung"

funding:
  funder name:                  Deutsche Forschungsgemeinschaft (DFG)
  funding program:              DFG Priority Programme "Polymer-based Batteries" (SPP 2248)
  funding nr:                   441323218
  project acronym:              
  project long title:           Novel Li-S batteries with dual redox couples: design, synthesis, in operando X-ray studies and theoretical modelling
  link to project homepage:     https://www.spp2248.uni-jena.de/
  funding acknowledgement text: We acknowledge funding by the German Research Foundation (DFG) through the Priority Programme “Polymer-based Batteries” (SPP 2248) under the project number 441323218.

license:        CC-BY 4.0 International
keywords:       X-ray spectrometry, X-ray spectroscopy, NEXAFS, XAFS, organo-sulfur, sulfur strand length, operando, lithium-sulfur battery, polymer battery
classification: INSPEC A30 Atomic and molecular physics

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