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@ARTICLE{Kappel:636698,
      author       = {Kappel, Isabella and Terban, Maxwell W. and Vennewald,
                      Maurice and Sackers, Nina M. and Iemhoff, Andree and Baums,
                      Janine C. and Leiting, Sebastian and Etter, Martin and
                      Hausoul, Peter J. C. and Palkovits, Regina and Weidenthaler,
                      Claudia},
      title        = {{E}xploring {X}-ray total scattering and pair distribution
                      functions for local structure analysis of single-atom
                      catalysts on polymeric supports},
      journal      = {Materials today / Chemistry},
      volume       = {47},
      issn         = {2468-5194},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Ltd.},
      reportid     = {PUBDB-2025-03717},
      pages        = {102776},
      year         = {2025},
      abstract     = {The local structure analysis of low-loaded single-atom
                      catalysts on polymeric supports conflicts with the detection
                      limit of analytical methods due to the low metal contents
                      (≤0.5 $wt\%)$ and the disordered character of the
                      supports. However, understanding the structure on an atomic
                      level is the precondition to draw
                      structure-property-relationships. In this study, we
                      demonstrate that X-ray total scattering and subsequent
                      atomic (difference) pair distribution function analysis
                      (dPDF) have the potential to contribute in that regard.
                      Atomic pair correlations related to the coordination
                      environment of highly dispersed metal centers as well as
                      structural information of the polymeric support materials
                      could be extracted. Different coordination environments of
                      the isolated species depending on the metal precursor could
                      be observed. In situ dPDF analysis allowed to track the
                      dynamic behavior of initially site-isolated Pd species on
                      exfoliated graphitic carbon nitride under reaction
                      conditions making it a suitable method to study their
                      stability. Complementary quasi in situ XPS analysis
                      confirmed the observation of increasing Pd–Pd pair
                      correlations by indicating the formation and growth of Pd
                      clusters/nanoparticles during the course of reaction. We
                      discuss the system feasibility, limitations of the method
                      and benchmarking of measurement protocols providing
                      practical guidance for sample preparation, measurement
                      conditions and their impact on the data quality during the
                      analysis of low-loaded single-atom catalysts.},
      cin          = {FS DOOR-User / MPG / FS-PET-D},
      ddc          = {600},
      cid          = {$I:(DE-H253)FS_DOOR-User-20241023$ /
                      I:(DE-H253)MPG-20120806 / I:(DE-H253)FS-PET-D-20190712},
      pnm          = {632 - Materials – Quantum, Complex and Functional
                      Materials (POF4-632) / 6G3 - PETRA III (DESY) (POF4-6G3) /
                      DFG project G:(GEPRIS)390919832 - EXC 2186: Das Fuel Science
                      Center – Adaptive Umwandlungssysteme für erneuerbare
                      Energie- und Kohlenstoffquellen (390919832)},
      pid          = {G:(DE-HGF)POF4-632 / G:(DE-HGF)POF4-6G3 /
                      G:(GEPRIS)390919832},
      experiment   = {EXP:(DE-H253)P-P02.1-20150101},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1016/j.mtchem.2025.102776},
      url          = {https://bib-pubdb1.desy.de/record/636698},
}