Insights into the solvation of vanadium ions in the vanadium redox flow battery electrolyte using molecular dynamics and metadynamics
The interaction of vanadium ions (V2+, V3+, VO2+ and VO2+) with counter ions in the condensed-phase vanadium redox flow battery (VRFB) system is investigated using force-field based molecular dynamics (MD), coupled with well-tempered metadynamics (WT-MetaD). In the conventional VRFB electrolyte, (i)...
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| Main Authors: | , , |
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| 格式: | Article |
| 語言: | English |
| 出版: |
2020
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| 在線閱讀: | https://hdl.handle.net/10356/142064 |
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