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Extension of the TraPPE Force Field for Battery Electrolyte Solvents
[Image: see text] Optimizing electrolyte formulations is key to improving performance of Li-/Na-ion batteries, where transport properties (diffusion coefficient, viscosity) and permittivity need to be predicted as functions of temperature, salt concentration and solvent composition. More efficient a...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10026065/ https://www.ncbi.nlm.nih.gov/pubmed/36862420 http://dx.doi.org/10.1021/acs.jpcb.2c06993 |