Uncovering the Dynamic CO2 Gas Uptake Behavior of CALF‐20 (Zn) under Varying Conditions via Positronium Lifetime Analysis Article Swipe
Ahmed G. Attallah
,
Volodymyr Bon
,
Eric Hirschmann
,
Maik Butterling
,
A. Wagner
,
Radosław Zaleski
,
Stefan Kaskel
·
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.1002/smll.202500544
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.1002/smll.202500544
Carbon dioxide (CO 2 ) is a major greenhouse gas contributing to global warming. Adsorption in porous sorbents offers a promising method for CO 2 capture and storage. The zinc‐triazole‐oxalate‐based Calgary framework 20 (CALF‐20) demonstrates high CO 2 capacity, low H 2 O affinity, and low adsorption heat, enabling energy‐efficient and stable performance over multiple cycles. This study examines CO 2 adsorption mechanism in CALF‐20 using positron annihilation lifetime spectroscopy (PALS), in situ powder X‐ray diffraction (PXRD), and gas adsorption experiments under varying temperatures and humidity levels. Variable‐temperature PALS experiments demonstrate that CO₂ molecules are spatially localized within the CALF‐20 cages, leaving temperature‐ and pressure‐dependent gaps. CO 2 begins at cage centers, forming 1D chains, and ultimately adheres to pore walls. Interestingly, positronium intensity correlates with the Langmuir‐Freundlich isotherm, reflecting gas uptake behavior. Moreover, under pure relative humidity (RH), water molecules form isolated clusters or small oligomers at low RH, transitioning to hydrogen‐bonded networks above 35 %RH, significantly altering free volumes. In humid CO₂ conditions, competitive interactions arise: CO₂ initially disrupts water propagation, but higher RH leads to extensive water networks filling the framework. The synergy between in situ‐PALS, in situ‐PXRD, and gas adsorption techniques provides comprehensive insights into CALF‐20′s potential for efficient CO 2 capture under varying conditions.
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- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1002/smll.202500544
- OA Status
- hybrid
- Cited By
- 3
- References
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- Related Works
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- OpenAlex ID
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All OpenAlex metadata
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https://openalex.org/W4407987452Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1002/smll.202500544Digital Object Identifier
- Title
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Uncovering the Dynamic CO2 Gas Uptake Behavior of CALF‐20 (Zn) under Varying Conditions via Positronium Lifetime AnalysisWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2025Year of publication
- Publication date
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2025-02-25Full publication date if available
- Authors
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Ahmed G. Attallah, Volodymyr Bon, Eric Hirschmann, Maik Butterling, A. Wagner, Radosław Zaleski, Stefan KaskelList of authors in order
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https://doi.org/10.1002/smll.202500544Publisher landing page
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YesWhether a free full text is available
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hybridOpen access status per OpenAlex
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https://doi.org/10.1002/smll.202500544Direct OA link when available
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Positronium, Materials science, Chemical physics, Chemistry, Chemical engineering, Physics, Nuclear physics, Positron, Electron, EngineeringTop concepts (fields/topics) attached by OpenAlex
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3Total citation count in OpenAlex
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2025: 3Per-year citation counts (last 5 years)
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10Other works algorithmically related by OpenAlex
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