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)...
محفوظ في:
المؤلفون الرئيسيون: | Gupta, Sukriti, Lim, Tuti Mariana, Mushrif, Samir Hemant |
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مؤلفون آخرون: | School of Chemical and Biomedical Engineering |
التنسيق: | مقال |
اللغة: | English |
منشور في: |
2020
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الموضوعات: | |
الوصول للمادة أونلاين: | https://hdl.handle.net/10356/142064 |
الوسوم: |
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