Unraveling Thermally Regulated Gating Mechanisms in TPT Pore-Partitioned MOF-74: A Computational Endeavor
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In the pursuit of advanced gas adsorption materials, we investigate the thermally activated gating mechanism of functionalized TPT (2,4,6-tri(4-pyridyl)-1,3,5-triazine) ligands within the one-dimensional channels of Mg-MOF-74. These ligands induce the formatio... ...
