Predicting practical reduction potential of electrolyte solvents via computational hydrogen electrode and interpretable machine-learning models

Abstract Accurate prediction of practical reduction electrode potentials (E red) of electrolyte solvents of electrochemical energy storage devices relies on calculating the Gibbs free energy in their reduction reaction. However, the emergence of new electrolyte solvents and additives leaves most of...

Full description

Saved in:
Bibliographic Details
Main Authors: Zonglin Yi, Yi Zhou, Hao Liu, Li Li, Yan Zhao, Jiayuan Li, Yixuan Mao, Fangyuan Su, Cheng-Meng Chen
Format: Article
Language:English
Published: Nature Portfolio 2025-05-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01582-w
Tags: Add Tag
No Tags, Be the first to tag this record!

Similar Items