To clarify the reaction mechanism of SiO anode, the chemical and the electrochemical reactions of SiO and SiO 2 with Li-metal and first principles calculations were investigated. In the chemical reactions, SiO and amorphous SiO 2 formed lithium silicide (Li 44 Si 5 ) and lithium silicate (Li 2 SiO 3 , Li 4 SiO 4 ) by reacting with Li. In the electrochemical reactions, crystalline SiO 2 did not react with Li though amorphous SiO 2 did do so. These results indicated that both Si area and amorphous SiO 2 area in SiO matrix play an important part in SiO chargedischarge process. This suggests that the dangling-bond in amorphous SiO 2 can react with Li easily. This finding was also confirmed by first principles calculations using VASP code.
Extensive research efforts are devoted to development of high performance all-solid-state lithium ion batteries owing to their potential in not only improving safety but also achieving high stability and high capacity. However, conventional approaches based on a fabrication of highly dense electrode and solid electrolyte layers and their close contact interface is not always applicable to high capacity alloy- and/or conversion-based active materials such as SnO2 accompanied with large volume change in charging-discharging. The present work demonstrates that SnO2-embedded nanoporous carbons without solid electrolyte inside the nanopores are a promising candidate for high capacity and stable anode material of all-solid-state battery, in which the volume change reactions are restricted in the nanopores to keep the constant electrode volume. A prototype all-solid-state full cell consisting of the SnO2-based anode and a LiNi1/3Co1/3Mn1/3O2-based cathode shows a good performance of 2040 Wh/kg at 268.6 W/kg based on the anode material weight.
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