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Ab Initio Calculations of the Redox Potentials of Additives for Lithium-Ion Batteries and Their Prediction through Machine Learning
[Image: see text] Ab initio molecular orbital calculations were carried out to examine the redox potentials of 149 electrolyte additives for lithium-ion batteries. These potentials were employed to construct regression models using a machine learning approach. We chose simple descriptors based on th...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644342/ https://www.ncbi.nlm.nih.gov/pubmed/31458929 http://dx.doi.org/10.1021/acsomega.8b00576 |