| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382230 | Chemical Physics Letters | 2013 | 5 Pages |
Abstract
⺠A reactive force field was developed for modeling lithiated carbonaceous materials. ⺠Atomistic simulations revealed strong coupling of lithium diffusion and stress. ⺠Lithium migration toward crack tip is energetically favorable. ⺠Lithium aggregation to the crack tip modulates crack instability. ⺠Modeling results shed light on lifetime extension of graphene-based electrodes.
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Authors
Hui Yang, Xu Huang, Wentao Liang, Adri C.T. van Duin, Muralikrishna Raju, Sulin Zhang,