Best-Practice Reporting for Porous Materials Adsorption Data
Date
2025
Authors
Siderius, D.W.
Evans, J.D.
Iacomi, P.
Vanduyfhuys, L.
Van Speybroeck, V.
Bon, V.
Kaskel, S.
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Journal article
Citation
Angewandte Chemie International Edition, 2025; 64(44):e202513606-1-e202513606-16
Statement of Responsibility
Daniel W. Siderius, Jack D. Evans, Paul Iacomi, Louis Vanduyfhuys, Veronique Van Speybroeck, Volodymyr Bon, Stefan Kaskel
Conference Name
Abstract
Recent decades have seen an enormous evolution of novel porous materials for catalysis, energy efficient processes, and sustainable technologies to improve life quality. Adsorption characterization is essential to provide descriptors of material texture and functionality. Modern science relies on digital data reporting making such data findable, accessible, interoperable, and reproducible (FAIR). This perspective addresses current methodology and the tools for reporting essential adsorption metadata and primary data in a digital format. Guidelines for the publication of experimental and computer simulated data are provided. A number of shortcomings in traditional reporting schemes and ambiguous units is discussed. The importance of quantity definitions is emphasized to avoid misinterpretation and enhance reproducibility. Documenting high-quality adsorption data based on a self-defining text archive and retrieval (STAR) file format is illustrated via examples to establish a best-practice in the field. The adsorption information file (AIF) captures primary data and metadata in a standardized human readable and editable STAR format.
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© 2025 The Author(s). Angewandte Chemie International Edition published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.