Understanding the lithium transport mechanism in monoclinic Li3V2(PO4)3 cathode material by atomistic simulation
In this work, atomistic simulation method based on core shell model is applied to observe the concerted motion of lithium ions in the perfect lattice of Li3V2(PO4)3 cathode material. The simulation is carried out at a series of increasingly elevated temperatures in a super cell containing 8 unit cel...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2019-09-01
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| Series: | Results in Physics |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379719313154 |