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Potential of Si14Ge14 and B14P14 nanocages as electrodes of metal-ion batteries: a theoretical investigation

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Abstract

In this study, the potential of Si14Ge14 and B14P14 as anode electrodes in metal-ion batteries by using of the density functional theory was investigated. The effects of halogen adsorption of the Si14Ge14 and B14P14 on potential of metal-ion batteries were examined. Results indicated that the B14P14 as anode in metal-ion batteries has higher potential than Si14Ge14. Results have shown that the K-ion battery has higher cell voltage and higher potential than Li-ion and Na-ion batteries. Results shown that the halogen adsorption of nanocages increases the cell voltage of studied metal-ion batteries. Results displayed that the F-metal-ion batteries have higher cell voltage and higher performance than Cl- and Br-metal-ion batteries. Finally, the F-B13P14 as anode electrode in the K-ion battery has the highest potential in industry.

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Acknowledgments

Thanks Dr. Ghafar Torkashvand for his valuable suggestions.

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  1. Department of Chemistry, Faculty of Science, University of Jiroft, Jiroft, Iran

    Razieh Razavi

  2. Medical Biology Research Center, Kermanshah University of Medical Sciences, Kermanshah, 67149-67346, Iran

    Meysam Najafi

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  1. Razieh Razavi
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Razavi, R., Najafi, M. Potential of Si14Ge14 and B14P14 nanocages as electrodes of metal-ion batteries: a theoretical investigation. J Solid State Electrochem 23, 759–769 (2019). https://doi.org/10.1007/s10008-018-04176-3

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