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One step further: a flexible metal−organic framework that functions as a dual-purpose water vapor sorbent
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Abstract
We report a water induced phase transformation in a flexible MOF, [Zn3(OH)2(btca)2] (Hbtca = 1H-benzotriazole-5-carboxylic acid), that exhibits a two-step water vapor sorption isotherm associated with water-induced phase transformations. Variable temperature X-ray diffraction studies revealed that the dehydrated phase, LP-β, is almost isostructural with the previously reported solvated phase, LP-α. LP-β reversibly transformed to a partially hydrated phase, NP, at 5% RH, and a fully hydrated phase, LP-γ, at 47% RH. Structural studies reveal that host−guest and guest−guest interactions are involved in the NP, LP-α, and LP-γ phases. The LP-β phase, however, is atypical; molecular modeling studies indicating that it is indeed energetically favorable as a LP structure. To our knowledge, [Zn3(OH)2(btca)2] is only the second sorbent that exhibits water induced LP-NP-LP transformations (after MIL-53) and represents the first regeneration optimized sorbent (ROS) with two steps at RH ranges relevant for both atmospheric water harvesting and dehumidification
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Publisher
American Chemical Society
Citation
ACS Materials Letters, 2025, 7, (2) pp. 433-441
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Shabangu_2025_One.pdf
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Funding Information
M.J.Z. gratefully acknowledges the support from the Irish Research Council (IRCLA/2019/167), the European Research Council (ADG 885695), and Research Ireland (16/IA/4624). S.J.N. and M.V. acknowledge the Irish Centre for High-End Computing (ICHEC) for the provision of computational facilities and support. S.J.N. is grateful for support by Enterprise Ireland and the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie (Grant Agreement No. 847402, Project ID: MF20210297)
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Article
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https://creativecommons.org/licenses/by-nc-sa/4.0/