Public Abstract

DE-SC0014209: Predicting and Controlling Ion Mobility in Polymer Blend and Composite Electrolytes Joint Experiment and Modeling Effort in Biasing Ion Conduction

Award Status: Active

Institution: The Ohio State University, Columbus, OH
UEI: DLWBSLWAJWR1
DUNS: 832127323

Most Recent Award Date: 09/04/2025
Number of Support Periods: 11
PM: Henderson, Craig

Current Budget Period: 08/15/2025 - 08/14/2026
Current Project Period: 08/15/2024 - 08/14/2027
PI: Hall, Lisa

Supplement Budget Period: N/A

Public Abstract

Predicting and Controlling Ion Mobility in Polymer Blend and Composite Electrolytes: Joint Experiment and Modeling Effort in Biasing Ion Conduction Thomas H. Epps, III; University of Delaware (Principal Investigator) Lisa M. Hall; The Ohio State University (Co-Principal Investigator) This project combines experiments and computer modeling to develop polymer electrolyte materials for safer, higher-performance batteries. Polymers are molecules made of smaller chemical units chemically bonded into long chains, and polymers that solvate and conduct positively charged ions (cations), such as lithium, can be used as nonflammable alternatives to liquid electrolytes. However, the slower motion of polymer segments compared to liquids typically reduces cation mobility. Furthermore, while cation transport is one key purpose of the electrolyte, the motion of the oppositely charged anions is often coupled to that of the cations, which dramatically reduces battery performance. Thus, this project will investigate systems that can decouple cation transport from the motion of polymer chains and anions; computer simulations will be seamlessly integrated with experimental synthesis and characterization to enable detailed understanding of molecular-scale motion, along with cation and anion transport properties. Specifically, this project will: 1) Investigate blends of traditional conducting polymers with alternative materials that have anions bonded to the polymer backbone (single ion conductors) and other small-molecule additives to optimize cation transport; 2) Incorporate nanoparticle additives and assess how particle interfaces impact cation motion; and 3) Develop more sustainable electrolytes by blending traditional polymer electrolytes with bio-derived macromolecules expected to possess strong anion interactions to facilitate cation transport. This demonstration of selective cation transport and investigation of how this behavior can be readily tuned by controlling constituent molecular features will provide new avenues towards safer, more efficient, higher-performance, battery electrolytes.

Predicting and Controlling Ion Mobility in Polymer Blend and Composite Electrolytes: Joint Experiment and Modeling Effort in Biasing Ion Conduction

Thomas H. Epps, III; University of Delaware (Principal Investigator)

Lisa M. Hall; The Ohio State University (Co-Principal Investigator)

This project combines experiments and computer modeling to develop polymer electrolyte materials for safer, higher-performance batteries. Polymers are molecules made of smaller chemical units chemically bonded into long chains, and polymers that solvate and conduct positively charged ions (cations), such as lithium, can be used as nonflammable alternatives to liquid electrolytes. However, the slower motion of polymer segments compared to liquids typically reduces cation mobility. Furthermore, while cation transport is one key purpose of the electrolyte, the motion of the oppositely charged anions is often coupled to that of the cations, which dramatically reduces battery performance. Thus, this project will investigate systems that can decouple cation transport from the motion of polymer chains and anions; computer simulations will be seamlessly integrated with experimental synthesis and characterization to enable detailed understanding of molecular-scale motion, along with cation and anion transport properties. Specifically, this project will: 1) Investigate blends of traditional conducting polymers with alternative materials that have anions bonded to the polymer backbone (single ion conductors) and other small-molecule additives to optimize cation transport; 2) Incorporate nanoparticle additives and assess how particle interfaces impact cation motion; and 3) Develop more sustainable electrolytes by blending traditional polymer electrolytes with bio-derived macromolecules expected to possess strong anion interactions to facilitate cation transport. This demonstration of selective cation transport and investigation of how this behavior can be readily tuned by controlling constituent molecular features will provide new avenues towards safer, more efficient, higher-performance, battery electrolytes.