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Rosales-Martínez, Carmen, Javannikkhah, Sousa, Zanatta, Marcileia, Martínez, Juan Carlos, Vandichel, Matthias and Abánades Lázaro, Isabel (2025) Multivariate modulation of Zr 6 UiO-66 for enhanced cooperative CO 2 adsorption through defect multi-functionalisation. Materials Horizons, 12. pp. 5689-5693. ISSN 2051-6347
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Abstract
The multivariate modulation of MOFs allows for the simultaneous introduction of multiple functionalities at defect sites during synthesis, enhancing the MOF porosity. By the thoughtful choice of modulators’ functionalities targeted at CO 2 adsorption, the designed dimodulated MOF, UiO-66-NH 2 /SO 3 , has a 6.6 mmol g −1 CO 2 adsorption at 273 K and 1 bar, a 2.3-fold increase compared to the pristine MOF and a 1.6-fold enhancement compared to the single-modulated MOFs. This enhancement is due to the cooperative effect of functional units, which is supported by Monte Carlo simulations.
| Item Type: | Article |
|---|---|
| Keywords: | Multivariate modulation; Zr6 UiO-66; enhanced cooperative CO2 adsorption; multi-functionalisation; |
| Academic Unit: | Faculty of Science & Engineering > Chemistry Faculty of Science & Engineering > Research Institutes > Hamilton Institute Faculty of Science & Engineering > Research Institutes > Human Health Institute |
| Item ID: | 21497 |
| Identification Number: | 10.1039/d5mh00650c |
| Depositing User: | Sousa Javannikkhah |
| Date Deposited: | 30 Apr 2026 15:46 |
| Journal or Publication Title: | Materials Horizons |
| Publisher: | Royal Society of Chemistry |
| Refereed: | Yes |
| Related URLs: | |
| Use Licence: | This item is available under a Creative Commons Attribution Non Commercial Share Alike Licence (CC BY-NC-SA). Details of this licence are available here |
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