Brett Matthew Savoie

Anion‐Driven Solvent Degradation Networks in High‐Concentration Battery Electrolytes

ABSTRACT High‐concentration electrolytes (HCEs) are investigated for their ability to form robust, inorganic‐rich solid electrolyte interphases (SEI). While the SEI composition in HCEs differs from that in dilute electrolytes, the specific anion‐mediated reaction network driving...

AIMNet2-rxn: A machine-learned potential for generalized reaction modeling on a millions-of-pathways scale

Mechanistic modeling of chemical transformations offers a compelling basis for understanding reactivity and allows for prediction of reaction outcomes before attempting experiments. Despite progress in machine-learned interatomic potentials (MLIPs), we demonstrate that available...

Side-Chain Grafting Frequency Controls Trap Formation and Polaron Mobility in Organic Mixed Conductors

Abstract Organic mixed ionic–electronic conductors (OMIECs) are π-conjugated polymer–electrolyte composites that support coupled ionic and electronic transport, making them candidates for bioelectronics, electrochemical sensors, and energy storage devices. Despite growing interes...