First-Principles Investigation of Adsorption and Diffusion of Ions on Pristine, Defective and B-doped Graphene
We performed first-principles calculations to reveal the possibility of applying pristine, defective, and B-doped graphene in feasible negative electrode materials of ion batteries. It is found that the barriers for ions are too high to diffuse through the original graphene, however the reduced barr...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2015-09-01
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| Series: | Materials |
| Subjects: | |
| Online Access: | http://www.mdpi.com/1996-1944/8/9/5297 |