C$_{32}$, Si$_{32}$ and B$_{16}$N$_{16}$ as anode electrodes of Li-, Na- and K-ion batteries: theoretical examination

Bulletin of Materials Science

MILAD JANGHORBAN LARICHE^4¹  BEHNAM NASROLLAHZADEH^2²  RAZIEH RAZAVI^1³  SYED ABOLGHASEM MIRHOSSEINEI^3⁴  MEYSAM NAJAFI^5⁵ 

[1] Abadan School of Medical Sciences, Abadan, Iran^4;Chemical Engineering Department, Faculty of Engineering, Ferdowsi University of Mashhad, Mashhad, Iran^2;Department of Chemistry, Faculty of Science, University of Jiroft, Jiroft, Iran^1;Department of Environment, Maybod Branch, Islamic Azad University, Maybod, Iran^3;Medical Biology Research Center, Kermanshah University of Medical Sciences, Kermanshah 67149-67346, Iran^5

关键词: Battery;    nanocage;    adoption;    voltage;    anode and halogen.;   

DOI  :  

学科分类：材料工程

来源: Indian Academy of Sciences

【 摘 要 】

In this study, the potential of C$_{32}$, Si$_{32}$ and B$_{16}$N$_{16}$nanocages as anode electrodes of Li-,Na- andK-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.

【 授权许可】

CC BY