AI-guided Discovery of Sustainable Ion-Conducting Peptide Electrolytes

Project Personnel

Christopher Evans

Principal Investigator

University of Illinois, Urbana-Champaign

Nicholas Jackson

Co-PI

University of Illinois at Urbana Champaign

Charles Schroeder

Co-PI

University of Illinois at Urbana Champaign

Rachel Letteri

Co-PI

University of Virginia

Funding Divisions

Division Of Materials Research (DMR), Division of Information and Intelligent Systems (IIS)

Energy storage technologies such as batteries critically require safe and thermally stable ion-conducting materials. Lithium-ion batteries are pervasive in modern society, but safety concerns have prompted the development of new solid-state ion-conducting materials. To date, nearly all solid polymer ion conductors are comprised of synthetic materials that lack precisely defined structures. In contrast, biological macromolecules such as peptides have precisely defined sequences, allowing for control over three-dimensional molecular structure, such as helical elements.

This project aims to understand the role of peptide helices on enhanced ion conduction, focusing on:

  1. the ability to arrange ion-conducting groups in controlled ways and

  2. the presence of a macrodipole along the backbone that grows with helix length.

This project will enable the development of a new class of helical peptide ion conductors for enhanced energy storage applications. A wide range of peptide chemistries will be designed and synthesized using an AI-guided discovery approach to understand the role of chemistry, sequence, helical character, and arrangement of ion-conducting groups on the performance of energy storage materials.

A key outcome of this project is to understand how the molecular structure of peptides affects ion transport for the development of next-generation energy storage materials.

Designing Materials to Revolutionize and Engineer our Future (DMREF)