Recommendations to Standardize Reporting, Execution, and Interpretation of X-Ray Absorption Spectroscopy Measurements: Article No. 115369

Randall Meyer, Simon Bare, Griffin Canning, Jingguang Chen, Pamela Chu, Adam Hock, Adam Hoffman, Ayman Karim, Shelly Kelly, Yu Lei, Eli Stavitski, Cody Wrasman

Research output: Contribution to journalArticlepeer-review

1 Scopus Citations

Abstract

In July of 2022, a National Science Foundation (NSF)- and US Department of Energy (DOE)-sponsored workshop was held on the topic of rigor and reproducibility (R&R) in thermal, heterogeneous catalysis. As a result of the workshop, a report has been published entitled "Addressing Rigor and Reproducibility in Thermal, Heterogeneous Catalysis"[1]. This manuscript summarizes one section of the report: "Recommendations for catalyst characterization by X-ray absorption spectroscopy". The section focuses exclusively on X-ray absorption spectroscopy (XAS) and is narrowly focused on recommendations for the collection and interpretation of XAS data for routine experiments. Therefore, one should not expect a detailed guide for each different experiment that one may perform nor are the recommendations designed to be overly prescriptive. However, the report is designed to draw attention to key pitfalls and common problems in the collection, reporting, analysis and interpretation of XAS studies.
Original languageAmerican English
Number of pages7
JournalJournal of Catalysis
Volume432
DOIs
StatePublished - 2024

NREL Publication Number

  • NREL/JA-5100-89210

Keywords

  • EXAFS
  • in-situ
  • operando
  • reproducibility
  • X-ray absorption spectroscopy
  • XANES

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