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    • Keywords


      Battery; nanocage; adoption; voltage; anode and halogen.

    • Abstract


      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.

    • Author Affiliations



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