Journal
JOURNAL OF MATERIALS CHEMISTRY
Volume 21, Issue 41, Pages 16365-16372Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1jm10725a
Keywords
-
Funding
- European Union
Ask authors/readers for more resources
We present a molecular dynamics study of Li+ jump frequencies in the olivine LiFePO4 cathode material. Besides the principal diffusion pathways along [010] we also find relevant particle motion along [001]. We produce a very detailed landscape of many-particle motion, consistent with the complex nature of the diffusion phenomenon. Patterns of Frenkel defect creation and migration are described in stoichiometric, defect-free LiFePO4 as well as in the presence of antisite defects. We stress the importance of many-particle Li hoppings to capture diffusion and transport processes in detail.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available