Density functional theory study of the mechanism of Li diffusion in rutile RuO2
First-principle calculations are carried out to study the diffusion of Li ions in rutile structure RuO2, a material for positive electrodes in rechargeable Li ion batteries. The calculations focus on migration pathways and energy barriers for diffusion in Li-poor and Li-rich phases using the Nudged...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2014-01-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4861583 |