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- 저자 : Bakavets, Aliaksei (검색결과 1 건)
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Park, Jae-Sang,Jo, Jae Hyeon,Aniskevich, Yauhen,Bakavets, Aliaksei,Ragoisha, Genady,Streltsov, Eugene,Kim, Jongsoon,Myung, Seung-Taek American Chemical Society 2018 Chemistry of materials Vol.30 No.19
<P>Zinc-ion batteries are emerging as next-generation rechargeable batteries that can operate in aqueous electrolytes. We first examine the feasibility of open-structured VO<SUB>2</SUB>(B) as a Zn<SUP>2+</SUP> intercalation host. A bond-valence sum energy map predicts that four Zn<SUP>2+</SUP>-ion sites (Zn<SUB>C</SUB>, Zn<SUB>A1</SUB>, Zn<SUB>A2</SUB>, and Zn<SUB>C′</SUB>) can exist in the structure. Using first-principles calculations, we verified that 0.5 mol of Zn<SUP>2+</SUP> ions can be reversibly (de)intercalated with an average voltage of ∼0.61 V (vs Zn<SUP>2+</SUP>/Zn), which is comparable with the experimental results. The specific capacity of VO<SUB>2</SUB>(B) at 50 mA g<SUP>-1</SUP> is maintained up to ∼365 mAh g<SUP>-1</SUP> corresponding to the storage capacity of ∼0.57 mol of Zn<SUP>2+</SUP> ions in the framework of VO<SUB>2</SUB>(B), and its redox reaction occurs at ∼0.61 V. The high capacity is maintained for 200 cycles, with capacity retention of 80% (288 mAh g<SUP>-1</SUP>). Moreover, the capacity delivered by the VO<SUB>2</SUB>(B) electrode is stable even with cycling at a rate of 5C (1750 mA g<SUP>-1</SUP>) at approximately 110 mAh g<SUP>-1</SUP>. This high-power capability of VO<SUB>2</SUB> is supported by the theoretical approach based on first-principles calculation, which shows the activation barrier for Zn<SUP>2+</SUP> diffusion in the VO<SUB>2</SUB>(B) structure. These findings demonstrate the potential of open-structured VO<SUB>2</SUB>(B) as a new candidate material.</P> [FIG OMISSION]</BR>
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