Published March 5, 2023
| Version v1
Journal article
Open
MOF Linker Extension Strategy for Enhanced Atmospheric Water Harvesting
Creators
- 1. University of California, Berkeley
- 2. University of Minnesota
- 3. Humboldt-Universität zu Berlin
- 4. University of Chicago
Description
A linker extension strategy for generating metal–organic frameworks (MOFs) with superior moisture-capturing properties is presented. Applying this design approach involving experiment and computation results in MOF-LA2-1 {[Al(OH)(PZVDC)], where PZVDC2– is (E)-5-(2-carboxylatovinyl)-1H-pyrazole-3-carboxylate}, which exhibits an approximately 50% water capacity increase compared to the state-of-the-art water-harvesting material MOF-303. The power of this approach is the increase in pore volume while retaining the ability of the MOF to harvest water in arid environments under long-term uptake and release cycling, as well as affording a reduction in regeneration heat and temperature. Density functional theory calculations and Monte Carlo simulations give detailed insight pertaining to framework structure, water interactions within its pores, and the resulting water sorption isotherm.
Files
MOF-Linker-Extension-Strategy-for-Enhanced-Atmospheric-Water-Harvesting.pdf
Additional details
Identifiers
- DOI
- 10.1021/acscentsci.3c00018
- Other
- oai:uchicago.tind.io:5686
Funding
- Defense Advanced Research Projects Agency (DARPA)
- HR0011-21-C-0020
- University of California, Berkeley
- Kavli ENSI Philomathia Graduate Student Fellowship
- Unknown funder
- Blavatnik Innovation Fellowship
- Department of Energy
- DE-FG02-17ER16362