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Application of B3S Monolayer as a Promising Anode in K-Ion Batteries

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Abstract

Choosing a suitable anode material is considered to be very important in developing high-performance batteries. In this study, density functional theory (DFT) computations are done for investigating the potential application of a B3S monolayer as an anode material. As an anode material, the B3S monolayer can be expected to have high performance with a lower potassium (K) diffusion barrier and the open-circuit voltage of the B3S monolayer, which are Ea < 0.37 eV and ∼ 0.19 V respectively. Moreover, its storage capacity is high (1642 mA h g−1). Finally, the metallicity of this monolayer is investigated, showing that the battery operating cycle and electrical conductance are good. Overall, the results reveal that the B3S monolayer can be considered as an encouraging anode material in K-ion batteries.

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Authors and Affiliations

  1. Department of Medical Physics, College of Applied Medical Sciences, University of Kerbala, 56001, Karbala, Iraq

    Rasha Alali

  2. Department of Medical Instrumentation Engineering Technology, Medical Laboratories-Biochemistry, Imam Jaafar Al-Sadiq University, Tehran, Iraq

    Thulfiqar Najah Ismael

  3. Department of Medical Laboratories Techniques, Al-Maarif University College, Ramadi, Al-Anbar Governorate, Iraq

    Wurood J. Rajab

  4. Department of Computer Engineering Technology, Al Kitab University, Altun Kopru, Kirkuk, 00964, Iraq

    A. H. Shather

  5. Scientific Research Center, Al-Ayen Iraqi University, Nasiriyah, Thi-Qar, 64001, Iraq

    Abdullah Hasan Jabbar

  6. College of Technical Engineering, The Islamic University, Najaf, Iraq

    Ahmed Elawady

  7. Department of Engineering, Al-Nisour University College, Baghdad, Iraq

    Alaa A. Omran

  8. Department of Medical Laboratories Technology, Al-Hadi University College, Baghdad, 10011, Iraq

    Majli Nema Hawas

  9. Department of CEA, GLA University, Mathura, 281406, India

    Anupam Yadav

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  1. Rasha Alali
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Alali, R., Ismael, T.N., Rajab, W.J. et al. Application of B3S Monolayer as a Promising Anode in K-Ion Batteries. Chemistry Africa (2024). https://doi.org/10.1007/s42250-024-00906-5

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