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Ab initio study of AMBO3 (A = Li, Na and M = Mn, Fe, Co, Ni) as cathode materials for Li-ion and Na-Ion batteries
, Article ACS Omega ; Volume 5, Issue 15 , April , 2020 , Pages 8952-8961 ; Hafizi Barjini, M ; Momeni, M ; Sharif University of Technology
American Chemical Society
2020
Abstract
According to the importance of polyanion cathode materials in intercalation batteries, they may play a significant role in energy-storage systems. Here, evaluations of LiMBO3 and NaMBO3 (M = Mn, Fe, Co, Ni) as cathode materials of Li-ion and Na-ion batteries, respectively, are performed in the density functional theory (DFT) framework. The structural properties, structural stability after deintercalation, cell voltage, electrical conductivity, and rate capability of the cathodes are assessed. As a result, Li compounds have more structural stability and energy density than Na compounds in the C2/c frame structure. Cell voltage is increased by increasing the atomic number of the transition...
In-situ hydrothermal synthesis of Na3MnCO3PO4/rGO hybrid as a cathode for Na-ion battery
, Article Electrochimica Acta ; Volume 208 , 2016 , Pages 188-194 ; 00134686 (ISSN) ; Sadrnezhaad, S. K ; Chen, G ; Sharif University of Technology
Elsevier Ltd
2016
Abstract
Novel Na3MnCO3PO4 (NMCP)/reduced graphene oxide (rGO) nanocomposite was successfully synthesized via one-step hydrothermal method. The produced materials were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), thermogravimetry (TG), galvanostatic charge/discharge test and inductively coupled plasma optical emission spectroscopy (ICP-OES). Obtained results indicate the formation of ∼25 nm NMCP nanoparticles randomly distributed on rGO sheets. As a promising cathode material for Na-ion batteries, the hybrids deliver gravimetric discharge capacities of...