Defect Chemistry, Sodium Diffusion and Doping Behaviour in NaFeO<sub>2</sub> Polymorphs as Cathode Materials for Na-Ion Batteries: A Computational Study
Minor metal-free sodium iron dioxide, NaFeO<sub>2</sub>, is a promising cathode material in sodium-ion batteries. Computational simulations based on the classical potentials were used to study the defects, sodium diffusion paths and cation doping behaviour in the α- and ^...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2019-10-01
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| Series: | Materials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1996-1944/12/19/3243 |