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Citation: Shamshirband SHAHABODDIN, Baghban ALIREZA, Nabipour NARJES, Najafi MEYSAM. Manganese Oxide (MnO) and Cadmium Dioxide (CdO2) Attached to Carbon Nanotube (8, 0) as Anodes of Metal-ion Batteries: a DFT Study[J]. Chinese Journal of Structural Chemistry, ;2020, 39(3): 415-420. doi: 10.14102/j.cnki.0254-5861.2011-2463 shu

Manganese Oxide (MnO) and Cadmium Dioxide (CdO2) Attached to Carbon Nanotube (8, 0) as Anodes of Metal-ion Batteries: a DFT Study

  • a.

    Department for Management of Science and Technology Development, Ton Duc Thang University, Ho Chi Minh City, Vietnam

  • b.

    Faculty of Information Technology, Ton Duc Thang University, Ho Chi Minh City, Vietnam

  • c.

    Department for Chemical Engineering, Amirkabir University of Technology, Mahshahr Campus, Mahshahr, Iran

  • d.

    Institute of Research and Development, Duy Tan University, Da Nang 550000, Vietnam

  • e.

    Medical Biology Research Center, Health Technology Institute, Kermanshah University of Medical Sciences, Kermanshah 67149-67346, Iran

Figures(1)

  • Performance of carbon nanotube (CNT) and their attached metal oxides (manganese oxide (MnO) and cadmium dioxide (CdO2)) structures as anode electrodes in lithium-ion battery (LIB) and potassium-ion battery (KIB) are investigated. The Gibbs free energy of adsorption of Li and K atoms/ions on surfaces of CNT (8, 0), CNT (8, 0)-MnO and CNT (8, 0)-CdO2 are calculated. The cell voltages (Vcell) of Li and K atoms/ions adsorption on studied surfaces are examined. The Vcell of LIBs with metal-oxides attached to CNT (8, 0) as anode electrodes are higher than those KIBs. The adsorbed metal oxides (MnO and CdO2) on CNT (8, 0) increased the charges, electronic conductivity and Vcell of LIB and KIB, efficiently. The CNT (8, 0)-CdO2 as anode electrodes in LIB and KIB is proposed.
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