The role of lattice vibration in the terahertz region for proton conduction in 2D metal–organic frameworks

Abstract

We studied the relationship between proton conductivity and the terahertz-regime vibrations of two-dimensional MOFs. The results of spectroscopy studies clarified the essential role played by the collective motions in the terahertz region in 2D layers for efficient H⁺ conduction. Ab initio calculations suggested the collective motion to be predominantly determined by the valence electronic structure, depending on the identity of the metal ion.