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Misfit-layered calcium cobaltites (Ca3Co4O9, Ca3Co3.9Fe0.1O9, and Ca3Co3.9Mn0.1O9), as anode materials for lithium-ion batteries, were synthesized by a simple hydro-decomposition method. All synthesized samples do not show any impurity phase. They exhibited plate-like particle with the particle size of 1–2 μm. The specific capacities of doped samples showed higher electrochemical performance compared...
The electronic structures of the undoped and Fe-doped misfit-layered calcium cobaltite are calculated using the first-principles calculations under DFT+U scheme. The calculated density of states (DOS) of the undoped sample is in a good agreement with the past theoretical calculation and experiments. The Fermi level falls at nearly the top of the valence band of the CoO2 sublattice. The obtained magnetization...
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