MOF Linker Extension Strategy for Enhanced Atmospheric Water Harvesting

Hanikel, Nikita; Kurandina, Daria; Chheda, Saumil; Zheng, Zhiling; Rong, Zichao; Neumann, S. Ephraim; Sauer, Joachim; Siepmann, J. Ilja; Gagliardi, Laura; Yaghi, Omar M.

doi:10.1021/acscentsci.3c00018

MOF Linker Extension Strategy for Enhanced Atmospheric Water Harvesting

Journal Article · Sun Mar 05 00:00:00 EST 2023 · ACS Central Science

DOI:https://doi.org/10.1021/acscentsci.3c00018· OSTI ID:2417694

^[1]; Kurandina, Daria ^[2]; Chheda, Saumil ^[3]; ^[2]; ^[2]; ^[2]; ^[4]; ^[3]; ^[5]; ^[6]

Univ. of California, Berkeley, CA (United States); Kavli Energy NanoScience Institute, Berkeley, CA (United States); Univ. of Minnesota, Minneapolis, MN (United States)
Univ. of California, Berkeley, CA (United States); Kavli Energy NanoScience Institute, Berkeley, CA (United States)
Univ. of Minnesota, Minneapolis, MN (United States)
Humboldt Univ. of Berlin (Germany)
Univ. of Chicago, IL (United States)
Univ. of California, Berkeley, CA (United States); Kavli Energy NanoScience Institute, Berkeley, CA (United States); King Abdulaziz City for Science and Technology (KACST), Riyadh (Saudi Arabia)

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.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Minnesota, Minneapolis, MN (United States)

Sponsoring Organization:: Defense Advanced Research Projects Agency (DARPA); National Institutes of Health (NIH); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)

Grant/Contract Number:: SC0008688

OSTI ID:: 2417694

Journal Information:: ACS Central Science, Journal Name: ACS Central Science Journal Issue: 3 Vol. 9; ISSN 2374-7943

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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