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...
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| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-05-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-025-01582-w |
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