Impact of Ionene Architecture on Ion Mobility

EM Schibli and C Lohn and AD Yeung and S Holdcroft and BJ Frisken, MACROMOLECULES, 57, 9923-9932 (2024).

DOI: 10.1021/acs.macromol.4c01217

We have investigated the nanostructure of five ionenes based on three different benzimidazolium- and imidizolium-based backbones as a function of hydration using atomistic molecular dynamics simulations supplemented with X-ray scattering. All five samples reveal sponge-like nanostructures with near-complete percolation, even at low degrees of hydration, and no evidence of long-range phase separation. Analysis of the structure and ion dynamics shows that, while connectivity is highest among the samples functionalized with methyl alkylating units, the ionic pathways in the imidizolium-based backbones functionalized with butyl alkylating units are less tortuous, leading to faster ion diffusion at low water content.

Return to Publications page