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

ABSTRACT: 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 investiga

SUBMITTER: Majid MF 

PROVIDER: S-EPMC10055841 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature