Abstract
Silicon oxycarbide is an excellent anode material for all solid batteries, characterized by excellent stability and some oxidation resistance. The structure of the SiCO/LTaO system has been investigated using first principles. We have investigated the electron density, DOS, and energy band structure at the SiCO/LiTaO interface. The calculations note that this particular configuration is expected to be applied to such as lithium-ion batteries and supercapacitors. This work will provide some theoretical support for the difficult problem of lowering impedance in the preparation of all-solid-state lithium-ion batteries.
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