Tuning the Electric Field Response of MOFs by Rotatable Dipolar Linkers.

ABSTRACT: Recently the possibility of using electric fields as a further stimulus to trigger structural changes in metal-organic frameworks (MOFs) has been investigated. In general, rotatable groups or other types of mechanical motion can be driven by electric fields. In this study we demonstrate how the electric response of MOFs can be tuned by adding rotatable dipolar linkers, generating a material that exhibits paraelectric behavior in two dimensions and dielectric behavior in one dimension. The suitability of four different methods to compute the relative permittivity κ by means of molecular dynamics simulations was validated. The dependency of the permittivity on temperature T and dipole strength μ was determined. It was found that the herein investigated systems exhibit a high degree of

SUBMITTER: Durholt JP 

PROVIDER: S-EPMC6716137 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature