Decoupling ion transport and matrix dynamics to make high performance solid polymer electrolytes

SD Jones, J Bamford, GH Fredrickson… - ACS polymers …, 2022 - ACS Publications
Transport of ions through solid polymeric electrolytes (SPEs) involves a complicated
interplay of ion solvation, ion–ion interactions, ion-polymer interactions, and free volume …

Self-assembled highly ordered acid layers in precisely sulfonated polyethylene produce efficient proton transport

EB Trigg, TW Gaines, M Maréchal, DE Moed… - Nature materials, 2018 - nature.com
Recent advances in polymer synthesis have allowed remarkable control over chain
microstructure and conformation. Capitalizing on such developments, here we create well …

Nanoscale aggregation in acid-and ion-containing polymers

LR Middleton, KI Winey - Annual review of chemical and …, 2017 - annualreviews.org
In this review we summarize recent efforts in understanding nano-aggregation in acid-and
ion-containing polymer systems. The acid and ionic groups have specific interactions that …

Molecular dynamics simulations of ion-containing polymers using generic coarse-grained models

KH Shen, M Fan, LM Hall - Macromolecules, 2021 - ACS Publications
Molecular dynamics simulations with generic bead–spring models have been instrumental
in revealing the molecular-scale behavior that underlies structure–property relationships of …

Structure-transport relationship of perfluorosulfonic-acid membranes in different cationic forms

S Shi, AZ Weber, A Kusoglu - Electrochimica Acta, 2016 - Elsevier
Perfluorosulfonic-acid (PFSA) ionomers are widely used as solid electrolytes and ion-
exchange membranes in electrochemical devices, wherein their properties are impacted by …

Atomistic MD study of nafion dispersions: Role of solvent and counterion in the aggregate structure, ionic clustering, and acid dissociation

A Tarokh, K Karan, S Ponnurangam - Macromolecules, 2019 - ACS Publications
A theory-based understanding of perfluorosulfonic acid (PFSA) class of ionomer
aggregation in different solvents is crucial for transitioning from empirically guided …

Direct comparisons of X-ray scattering and atomistic molecular dynamics simulations for precise acid copolymers and ionomers

CF Buitrago, DS Bolintineanu, ME Seitz… - …, 2015 - ACS Publications
Designing acid-and ion-containing polymers for optimal proton, ion, or water transport would
benefit profoundly from predictive models or theories that relate polymer structures with …

Percolated ionic aggregate morphologies and decoupled ion transport in precise sulfonated polymers synthesized by ring-opening metathesis polymerization

BA Paren, BA Thurston, WJ Neary, A Kendrick… - …, 2020 - ACS Publications
We describe a set of precise single-ion conducting polymers that form self-assembled
percolated ionic aggregates in glassy polymer matrices and have decoupled transport of …

Ion pairing and the structure of gel coacervates

SPO Danielsen, S Panyukov, M Rubinstein - Macromolecules, 2020 - ACS Publications
A scaling model for the structure of coacervates is presented for mixtures of oppositely
charged polyelectrolytes of both symmetric and asymmetric charge densities for different …

Multivalent ion conduction in solid polymer systems

NS Schauser, R Seshadri, RA Segalman - Molecular Systems Design …, 2019 - pubs.rsc.org
While polymer electrolytes hold the promise of improving safety and mechanical durability of
electrochemical devices, most suffer from relatively low ionic conductivities especially at …