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 …

Ion correlations and their impact on transport in polymer-based electrolytes

KD Fong, J Self, BD McCloskey, KA Persson - Macromolecules, 2021 - ACS Publications
The development of next-generation polymer-based electrolytes for energy storage
applications would greatly benefit from a deeper understanding of transport phenomena in …

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 …

The role of backbone polarity on aggregation and conduction of ions in polymer electrolytes

NS Schauser, DJ Grzetic, T Tabassum… - Journal of the …, 2020 - ACS Publications
The usual understanding in polymer electrolyte design is that an increase in the polymer
dielectric constant results in reduced ion aggregation and therefore increased ionic …

Design of polymer blend electrolytes through a machine learning approach

BK Wheatle, EF Fuentes, NA Lynd, V Ganesan - Macromolecules, 2020 - ACS Publications
We apply a machine learning (ML) technique to the multiobjective design of polymer blend
electrolytes. In particular, we are interested in maximizing electrolyte performance measured …

Polymer Architecture-Induced Trade-off between Conductivities and Transference Numbers in Salt-Doped Polymeric Ionic Liquids

Z Zhang, N Marioni, HS Sachar, V Ganesan - ACS Macro Letters, 2023 - ACS Publications
Recent experiments have demonstrated that polymeric ionic liquids that share the same
cation and anion but possess different architectures can exhibit markedly different …

The Importance of Morphology on Ion Transport in Single-Ion, Comb-Branched Copolymer Electrolytes: Experiments and Simulations

S Kadulkar, ZW Brotherton, AL Lynch… - …, 2023 - ACS Publications
Single-ion conducting polymer electrolytes (SICPEs) offer high lithium transference numbers
and desirable physical properties while maintaining moderate conductivities. Bottlebrush …

Li+ Transport in Single-Ion Conducting Side-Chain Polymer Electrolytes with Nanoscale Self-Assembly of Ordered Ionic Domains

J Liu, L Yang, PD Pickett, B Park, JL Schaefer - Macromolecules, 2022 - ACS Publications
Li-ion batteries based on organic liquid electrolytes have been commercialized for decades.
However, the flammability of the liquid electrolyte and propensity for reaction with metallic …

Investigation of the electrochemical performance of Mg-ion batteries based on PVDF-HFP thin polymer electrolyte films

MJ Hussain, CS Espenti, YVM Reddy… - Materials Chemistry and …, 2024 - Elsevier
In the present work, poly (vinylidene fluoride-hexafluoropropylene): magnesium
trifluoromethanesulfonate (PVDF-HFP: MgTf) polymer electrolytic films with a porous …

Quantifying single-ion transport in percolated ionic aggregates of polymer melts

JA Bollinger, MJ Stevens, AL Frischknecht - ACS Macro Letters, 2020 - ACS Publications
Single-ion conducting polymers such as ionomers are promising battery electrolyte
materials, but it is critical to understand how rates and mechanisms of free cation transport …