Journal
DALTON TRANSACTIONS
Volume 45, Issue 10, Pages 4352-4359Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5dt04330a
Keywords
-
Categories
Funding
- CSIRO Office of the Chief Executive's Julius Award
- GENCI [x201587069]
- Australian Government
- Science and Industry Endowment Fund
Ask authors/readers for more resources
Defect engineering has arisen as a promising approach to tune and optimise the adsorptive performance of metal-organic frameworks. However, the balance between enhanced adsorption and structural stability remains an open question. Here both CO2 adsorption capacity and mechanical stability are calculated for the zirconium-based UiO-66, which is subject to systematic variations of defect scenarios. Modulator-dependence, defect concentration and heterogeneity are explored in isolation. Mechanical stability is shown to be compromised at high pressures where uptake is enhanced with an increase in defect concentration. Nonetheless this reduction in stability is minimised for reo type defects and defects with trifluoroacetate substitution. Finally, heterogeneity and auxeticity may also play a role in overcoming the compromise between adsorption and stability.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available