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首页> 外文期刊>Advanced Functional Materials >A Family of High-Performance Cathode Materials for Na-ion Batteries, Na_3(VO_(1-x)PO_4)_2 F_(1+2x) (0 ≤ x ≤ 1): Combined First-Principles and Experimental Study
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A Family of High-Performance Cathode Materials for Na-ion Batteries, Na_3(VO_(1-x)PO_4)_2 F_(1+2x) (0 ≤ x ≤ 1): Combined First-Principles and Experimental Study

机译：Na_3（VO_（1-x）PO_4）_2 F_（1 + 2x）（0≤x≤1）的高性能钠离子电池正极材料组合：第一性原理和实验研究

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摘要

Room-temperature Na-ion batteries (NIBs) have recently attracted attention as potential alternatives to current Li-ion batteries (LIBs). The natural abundance of sodium and the similarity between the electrochemical properties of NIBs and LIBs make NIBs well suited for applications requiring low cost and long-term reliability. Here, the first successful synthesis of a series of Na_3(VO_(1-x)PO_4)2F_(1+2x)(0 ≤ x ≤ 1) compounds as a new family of high-performance cathode materials for NIBs is reported. The Na_3(VO_(1-x)PO_4)_2F_(1+2x) series can function as high-performance cathodes for NIBs with high energy density and good cycle life, although the redox mechanism varies depending on the composition. The combined first-principles calculations and experimental analysis reveal the detailed structural and electrochemical mechanisms of the various compositions in solid solutions of Na_3(VOPO_4)2F and Na_3V_2(PO_4)_2F_3. The comparative data for the Na_y(VO_(1-x)PO_4)_2F_(1+2x) electrodes show a clear relationship among V~(3+)/V~(4+)/V~(5+) redox reactions, Na~+-Na~+ interactions, and Na~+ intercalation mechanisms in NIBs. The new family of high-energy cathode materials reported here is expected to spur the development of low-cost, high-performance NIBs.
机译：室温钠离子电池（NIB）作为当前锂离子电池（LIB）的潜在替代品最近引起了人们的关注。钠的自然丰度以及NIB和LIB的电化学性质之间的相似性使NIB非常适合要求低成本和长期可靠性的应用。在此，首次成功合成了一系列Na_3（VO_（1-x）PO_4）2F_（1 + 2x）（0≤x≤1）化合物，作为NIB的新型高性能阴极材料系列。 Na_3（VO_（1-x）PO_4）_2F_（1 + 2x）系列可作为具有高能量密度和良好循环寿命的NIB的高性能阴极，尽管其氧化还原机理会随组成而变化。结合的第一性原理计算和实验分析揭示了Na_3（VOPO_4）2F和Na_3V_2（PO_4）_2F_3固溶体中各种成分的详细结构和电化学机理。 Na_y（VO_（1-x）PO_4）_2F_（1 + 2x）电极的比较数据显示V〜（3 +）/ V〜（4 +）/ V〜（5+）氧化还原反应之间有明确的关系， NIBs中的Na〜+ -Na〜+相互作用和Na〜+嵌入机制。此处报道的新系列高能阴极材料有望刺激低成本，高性能NIB的发展。

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  • 来源
    《Advanced Functional Materials》 |2014年第29期|4603-4614|共12页
  • 作者

    Young-Uk Park; Dong-Hwa Seo; Hyungsub Kim; Jongsoon Kim; Seongsu Lee; Byoungkook Kim; Kisuk Kang;

  • 作者单位

    Department of Materials Science and Engineering Seoul National University 1 Gwanak-ro, Gwanak-gu Seoul 151-742, Republic of Korea;

    Department of Materials Science and Engineering Seoul National University 1 Gwanak-ro, Gwanak-gu Seoul 151-742, Republic of Korea;

    Department of Materials Science and Engineering Seoul National University 1 Gwanak-ro, Gwanak-gu Seoul 151-742, Republic of Korea;

    Department of Materials Science and Engineering Seoul National University 1 Gwanak-ro, Gwanak-gu Seoul 151-742, Republic of Korea;

    Korea Atomic Energy Research Institute P.O. Box 105. Daeieon 305-600. Republic of Korea;

    Analysis Center for Research Advancement Korea Advanced Institute of Science and Technology (KAIST) 291 Daehak-ro, Yuseong-gu Daejeon 305-701, Republic of Korea;

    Department of Materials Science and Engineering Seoul National University 1 Gwanak-ro, Gwanak-gu Seoul 151-742, Republic of Korea,Center for Nanoparticle Research Institute for Basic Science (IBS) Seoul National University 1 Gwanak-ro Gwanak-gu Seoul 151-742, Republic of Korea,Research Institute of Advanced Materials (RIAM) Seoul National University 1 Gwanak-ro, Gwanak-gu, Seoul 151-742, Republic of Korea;

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