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MOF Linker Extension Strategy for Enhanced Atmospheric Water Harvesting.

ABSTRACT: 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 PZVDC^2- 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.

SUBMITTER: Hanikel N

PROVIDER: S-EPMC10037441 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature

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MOF Linker Extension Strategy for Enhanced Atmospheric Water Harvesting.

Hanikel Nikita N Kurandina Daria D Chheda Saumil S Zheng Zhiling Z Rong Zichao Z Neumann S Ephraim SE Sauer Joachim J Siepmann J Ilja JI Gagliardi Laura L Yaghi Omar M OM

ACS central science 20230306 3

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 in ...[more]

PMID: 36968524

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