C32,Si32 and B16N16 as anode electrodes of Li-, Na- and K-ion batteries: theoretical examination

In this study, the potential of C 32 , Si 32 and B 16 N 16 nanocages as anode electrodes of Li-, Na- and K-ion batteries via density functional theory was investigated. The effects of halogen-adoption of C 32 , Si 32 and B 16 N 16 on potentials of metal-ion batteries were examined. Results showed th...

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Bibliographic Details
Published in:Bulletin of materials science 2019-02, Vol.42 (1), p.10
Main Authors: Razavi, Razieh, Nasrollahzadeh, Behnam, Mirhosseinei, Syed Abolghasem, Lariche, Milad Janghorban, Najafi, Meysam
Format: Article
Language:English
Subjects:
Batteries
Chemistry and Materials Science
Density functional theory
Electric potential
Electrodes
Energy
Engineering
Graphene
Hydrogenation
Lithium
Lithium-ion batteries
Materials Science
Metals
Rechargeable batteries
Sodium
Sodium-ion batteries
Voltage
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Summary:In this study, the potential of C 32 , Si 32 and B 16 N 16 nanocages as anode electrodes of Li-, Na- and K-ion batteries via density functional theory was investigated. The effects of halogen-adoption of C 32 , Si 32 and B 16 N 16 on potentials of metal-ion batteries were examined. Results showed that B 16 N 16 as an anode electrode in metal-ion batteries has higher potential than C 32 and Si 32 . Results illustrated that (i) a K-ion battery has higher cell voltage and higher performance than Li- and Na-ion batteries; (ii) halogen-adoption of nanocages increased the cell voltage of studied metal-ion batteries and (iii) F-adopted metal-ion batteries have higher cell voltage than Cl- and Br-adopted metal-ion batteries. Finally, F – B 15 N 16 as an anode electrode in K-ion batteries has the highest performance and it can be proposed as novel metal-ion batteries.
ISSN:0250-4707
0973-7669
DOI:10.1007/s12034-018-1691-2