Journal Article

PUBDB-2025-03717

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Exploring X-ray total scattering and pair distribution functions for local structure analysis of single-atom catalysts on polymeric supports

Kappel, I.Extern* ; Terban, M. W.Extern* ; Vennewald, M. ; Sackers, N. M. ; Iemhoff, A. ; Baums, J. C. ; Leiting, S.Extern* ; Etter, M.DESY* ; Hausoul, P. J. C. ; Palkovits, R. (Corresponding author) ; Weidenthaler, C. (Corresponding author)Extern*

2025
Elsevier Ltd. Amsterdam [u.a.]

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Please use a persistent id in citations: doi:10.1016/j.mtchem.2025.102776  doi:10.3204/PUBDB-2025-03717

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.

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Contributing Institute(s):

1. FS DOOR-User (FS DOOR-User)
2. Max-Planck-Gesellschaft (MPG)
3. Experimentebetreuung PETRA III (FS-PET-D)

Research Program(s):

1. 632 - Materials – Quantum, Complex and Functional Materials (POF4-632) (POF4-632)
2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
3. DFG project G:(GEPRIS)390919832 - EXC 2186: Das Fuel Science Center – Adaptive Umwandlungssysteme für erneuerbare Energie- und Kohlenstoffquellen (390919832) (390919832)

Experiment(s):

1. PETRA Beamline P02.1 (PETRA III)

Appears in the scientific report 2025

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF >= 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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