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Adsorption in porous sorbents offers a promising method for CO<jats:sub>2<\/jats:sub> capture and storage. The zinc\u2010triazole\u2010oxalate\u2010based Calgary framework 20 (CALF\u201020) demonstrates high CO<jats:sub>2<\/jats:sub> capacity, low H<jats:sub>2<\/jats:sub>O affinity, and low adsorption heat, enabling energy\u2010efficient and stable performance over multiple cycles. This study examines CO<jats:sub>2<\/jats:sub> adsorption mechanism in CALF\u201020 using positron annihilation lifetime spectroscopy (PALS), in situ powder X\u2010ray diffraction (PXRD), and gas adsorption experiments under varying temperatures and humidity levels. Variable\u2010temperature PALS experiments demonstrate that CO\u2082 molecules are spatially localized within the CALF\u201020 cages, leaving temperature\u2010 and pressure\u2010dependent gaps. CO<jats:sub>2<\/jats:sub> begins at cage centers, forming 1D chains, and ultimately adheres to pore walls. Interestingly, positronium intensity correlates\u00a0with the Langmuir\u2010Freundlich 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\u2010bonded networks above 35 %RH, significantly altering free volumes. In humid CO\u2082 conditions, competitive interactions arise: CO\u2082 initially disrupts water propagation, but higher RH leads to extensive water networks filling the framework. The synergy between in situ\u2010PALS, in situ\u2010PXRD, and gas adsorption techniques provides comprehensive insights into CALF\u201020\u2032s potential for efficient CO<jats:sub>2<\/jats:sub> capture under varying conditions.<\/jats:p>","DOI":"10.1002\/smll.202500544","type":"journal-article","created":{"date-parts":[[2025,3,11]],"date-time":"2025-03-11T22:49:30Z","timestamp":1741733370000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":15,"title":["Uncovering the Dynamic CO<sub>2<\/sub> Gas Uptake Behavior of CALF\u201020 (Zn) under Varying Conditions via Positronium Lifetime Analysis"],"prefix":"10.1002","volume":"21","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-7759-0315","authenticated-orcid":false,"given":"Ahmed G.","family":"Attallah","sequence":"first","affiliation":[{"name":"Institute of Radiation Physics Helmholtz\u2010Zentrum Dresden \u2013 Rossendorf  01328 Dresden Germany"},{"name":"Physics Department Faculty of Science Minia University  Minia 61519 Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Volodymyr","family":"Bon","sequence":"additional","affiliation":[{"name":"Chair of Inorganic Chemistry I Technische Universit\u00e4t Dresden  D\u201001062 Dresden Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Eric","family":"Hirschmann","sequence":"additional","affiliation":[{"name":"Institute of Radiation Physics Helmholtz\u2010Zentrum Dresden \u2013 Rossendorf  01328 Dresden Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Maik","family":"Butterling","sequence":"additional","affiliation":[{"name":"Institute of Radiation Physics Helmholtz\u2010Zentrum Dresden \u2013 Rossendorf  01328 Dresden Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Andreas","family":"Wagner","sequence":"additional","affiliation":[{"name":"Institute of Radiation Physics Helmholtz\u2010Zentrum Dresden \u2013 Rossendorf  01328 Dresden Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rados\u0142aw","family":"Zaleski","sequence":"additional","affiliation":[{"name":"Institute of Physics Maria Curie\u2010Sklodowska University  Lublin 20\u2010031 Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Stefan","family":"Kaskel","sequence":"additional","affiliation":[{"name":"Chair of Inorganic Chemistry I Technische Universit\u00e4t Dresden  D\u201001062 Dresden Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,2,25]]},"reference":[{"key":"e_1_2_8_1_1","unstructured":"The Glasgow Climate Pact \u2013 UN Climate Change Conference (COP26) at the SEC \u2013 Glasgow 2021https:\/\/webarchive.nationalarchives.gov.uk\/ukgwa\/20230418183423\/ (accessed: February 2025)."},{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10311-020-01153-z"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.1038\/532435a"},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.3389\/fenrg.2020.00015"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.3390\/pr8060654"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41558-024-02104-0"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2022.136263"},{"key":"e_1_2_8_8_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijggc.2015.12.033"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.0c00342"},{"key":"e_1_2_8_10_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10450-018-00004-2"},{"key":"e_1_2_8_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/S1003-9953(11)60371-X"},{"key":"e_1_2_8_12_1","unstructured":"L. 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