CO₂ and H₂O Sorption Induced Bulk-Phase Changes of CALF-20 Captured Using <i>In Situ</i> Laboratory X-ray Powder Diffraction.

ABSTRACT: The zinc oxalate (ox) triazolate (trz)-based MOF, Calgary Framework 20 (CALF-20), exhibits remarkable cycling stability for carbon dioxide and water adsorption and desorption and is therefore a promising candidate material for CO₂ sequestration on an industrial scale. Upon gas and vapor loading and unloading, the MOF shows pronounced structural dynamics leading to a variety of potential CALF-20 polymorphs. A systematic in situ study on CO₂ and H₂O ad- and desorption using high-resolution, laboratory X-ray powder diffraction (XRPD) shows that the CO₂-breathing behavior changes upon gas loading. A CO₂ uptake initially distorts the rectangular pore into a diamond shape. Upon further CO₂ incorporation, the breathing behav

SUBMITTER: Bette S 

PROVIDER: S-EPMC12291430 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature