Boron carbide hexagonal monolayer as promising anode material for magnesium-ion batteries
Cao Y. Ahmai S. Ghaffar Ebadi A. Xu N.-Y. Issakhov A. Derakhshandeh M.
November 2021Elsevier B.V.
Inorganic Chemistry Communications
2021#133
In the past decades, designing new carbon-based magnesium-ion batteries (MIBs) as anodes has been at the center of the attention of researchers. Due to some remarkable characteristics such as excellent mechanical/chemical features and large surface area, 2D BC3 monolayers nanomaterials are suitable candidates. Nevertheless, BC3 monolayers have not received enough attention among researchers who study batteries. During the present study, first-principle computations were employed to investigate the possible applications of BC3 monolayer in MIBs as an anode for the first time. It should be mentioned that properties such as small open-circuit voltage (OCV) of 0.05 V, small Mg energy of adsorption of −2.27 eV, the storage capacity of 796 mAh g−1, and single MIBs atom energy of migration barrier around 0.096 eV have made BC3 a suitable material for MIBs. This work demonstrates that BC3 is a practical material for developing high-performance carbonaceous 2D anode for batteries.
And migration barrier , Anodes , BC3 monolayers , Magnesium-ion batteries
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School of Mechatronic Engineering, Xian Technological University, Xian, 710021, China
Department of Chemistry, Payame Noor University, Tehran, Iran
Department of Agriculture, Jouybar Branch, Islamic Azad University, Jouybar, Iran
School of Chemistry and Materials Engineering, Huizhou University, Huizhou, 516007, China
Department of Mathematical and Computer Modelling, al-Farabi, Kazakh National University, Almaty, 050040, Kazakhstan
Department of Mathematics and Cybernetics, Kazakh British Technical University, Almaty, 050000, Kazakhstan
Department of Chemistry, Faculty of Chemical Engineering, Mahshahr branch, Islamic Azad University, Mahshahr, Iran
School of Mechatronic Engineering
Department of Chemistry
Department of Agriculture
School of Chemistry and Materials Engineering
Department of Mathematical and Computer Modelling
Department of Mathematics and Cybernetics
Department of Chemistry
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