Photochemically Induced Water Harvesting in Metal-Organic Framework

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Harvesting water from air is one of the key environmental related issues facing humanity in recent years. In this study, we demonstrate that tha Ni-IRMOF74-III metal-organic framework structure attached with azopyridine molecules can potentially undergo photochemically induced cis/trans transition, leading to significant enhancement in the H2O working capacity. Specifically, grand canonical Monte Carlo simulations indicate an ultrahigh 0.20 kg kg(-1) of H2O working capacity at 25 degrees C adsorption and 65 degrees C desorption conditions. More importantly, given that the cis/trans switching is predominantly responsible for the discrepancy in the H2O uptake, even in the mild condition of 35 degrees C desorption (10 degrees C diurnal temperature swing), the H2O working capacity is still very high at 0.18 kg kg(-1). Our theoretical findings provide a blueprint to design the next generation water harvesting materials that can operate in natural conditions to expand its applicability in different regions around the world.
Publisher
AMER CHEMICAL SOC
Issue Date
2019-10
Language
English
Article Type
Article
Citation

ACS SUSTAINABLE CHEMISTRY & ENGINEERING, v.7, no.19, pp.15854 - 15859

ISSN
2168-0485
DOI
10.1021/acssuschemeng.9b03513
URI
http://hdl.handle.net/10203/268090
Appears in Collection
CBE-Journal Papers(저널논문)
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