JOURNAL OF MATERIALS CHEMISTRY A, v. 8, no. 35, page. 17951-17955
Abstract
The zirconium-formate molecular solid containing KCl ion pairs (ZF-3) exhibits optimum humidity-sensitive performance in terms of ionic conductivity. Molecular dynamics simulations show that the water-assisted conductivity behavior of ZF-3 results from the fast reorganization of water combined with the translational motion of Cl-, while K(+)ions remain around their mean positions.