Reactive molecular dynamics simulations of lithium-ion battery electrolyte degradation
Abstract The development of reliable computational methods for novel battery materials has become essential due to the recently intensified research efforts on more sustainable energy storage materials. Here, we use a recently developed framework allowing to consistently incorporate quantum-mechanic...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2024-05-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-024-60063-0 |
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