Composite-fabric-based structure-integrated energy storage system

Choi, Joo-Seung; Park, Hyun-Wook; Noh, Jung-Eon; Cha, Ji-Hun; Jang, Woo-Hyeok; Kim, Chun-Gon

doi:10.1016/j.compstruct.2023.116757

Cited by 5 publications

(1 citation statement)

References 23 publications

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“…A three-dimensional zirconium-based metal–organic framework (UiO-66) was selected as the model MOF and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][TFSI]) was employed as the guest molecule. These materials are widely used in electrochemical systems [ 22 , 23 , 24 , 25 , 26 , 27 , 28 ].…”

Section: Introductionmentioning

confidence: 99%

Host–Guest Interactions of Zirconium-Based Metal–Organic Framework with Ionic Liquid

et al. 2023

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A metal–organic framework (MOF) is a three-dimensional crystalline compound made from organic ligands and metals. The cross-linkage between organic ligands and metals creates a network of coordination polymers containing adjustable voids with a high total surface area. This special feature of MOF made it possible to form a host–guest interaction with small molecules, such as ionic liquid (IL), which can alter the phase behavior and improve the performance in battery applications. The molecular interactions of MOF and IL are, however, hard to understand due to the limited number of computational studies. In this study, the structural parameters of a zirconium-based metal–organic framework (UiO-66) and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [EMIM][TFSI] were investigated via a combined experimental and computational approach using the linker model approach. When IL was loaded, the bond length and bond angle of organic linkers were distorted due to the increased electron density surrounding the framework. The increase in molecular orbital energy after confining IL stabilized the structure of this hybrid system. The molecular interactions study revealed that the combination of UiO-66 and [EMIM][TFSI] could be a promising candidate as an electrolyte material in an energy storage system.

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