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Structure Distortion Induced Monoclinic Nickel Hexacyanoferrate as High-Performance Cathode for Na-Ion Batteries

机译:结构变形诱导单斜镍六氰基甲醛作为Na离子电池的高性能阴极

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摘要

Prussian blue analogs with an open framework are ideal cathodes for Na-ion batteries. A superior high-rate and highly stable monoclinic nickel hexacyanoferrate (NiHCF-3) is synthesized via a facile one-step crystallization-controlled co-precipitation method. It gives a high specific capacity of 85.7 mAh g(-1), nearly to its theoretical value. It also exhibits an excellent rate capability with a high capacity retention ratio of 78% at 50 C and a stable cycling performance over 1200 cycles. Through the ex situ X-ray diffraction and pair distribution function measurements, it is found that the monoclinic structure with distorted framework is greatly related to the high Na content. The electronic structure studies by density functional theory (DFT) calculation demonstrate that NiHCF-3 deformation promotes the framework conductivity and improves the electrochemical activity of Fe, which results in an ultrahigh-rate performance of monoclinic phase. Furthermore, the high-quality monoclinic (NiHCF-3) exhibits excellent compatibility with both hard carbon and NaTi2(PO4)(3) anodes in full cells, which shows great prospects for the application in the large-scale energy storage systems.
机译:具有开放框架的普鲁士蓝色类似物是Na离子电池的理想阴极。通过容易的一步结晶控制的共沉淀法合成了优异的高速率和高稳定的单斜镍六氰基甲酸乙酯(NiHCF-3)。它具有85.7mAhg(-1)的高比容量,几乎达到其理论值。它还表现出优异的速率能力,高容量保持比率为78%,50℃,循环超过1200次循环性能。通过EX原位X射线衍射和配合函数测量,发现具有扭曲框架的单斜晶结构与高NA含量大大相关。通过密度函数理论(DFT)计算的电子结构研究表明,NiHCF-3变形促进了骨架电导率并改善了Fe的电化学活性,这导致单斜晶相的超高速率性能。此外,高质量的单斜(NiHCF-3)与全细胞中的硬碳和Nati2(PO4)(3)阳极具有优异的相容性,这对大型能量存储系统中的应用显示了很大的前景。

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  • 来源
    《Advanced energy materials》 |2019年第4期|1803158.1-1803158.10|共10页
  • 作者单位

    Huazhong Univ Sci & Technol Sch Mat Sci & Engn State Key Lab Mat Proc & Die & Mould Technol Wuhan 430074 Hubei Peoples R China;

    Southern Univ Sci & Technol Dept Phys Shenzhen 518055 Peoples R China|Chongqing Univ Dept Appl Phys Chongqing 401331 Peoples R China;

    Southern Univ Sci & Technol Dept Phys Shenzhen 518055 Peoples R China;

    Huazhong Univ Sci & Technol Sch Mat Sci & Engn State Key Lab Mat Proc & Die & Mould Technol Wuhan 430074 Hubei Peoples R China;

    Huazhong Univ Sci & Technol Sch Mat Sci & Engn State Key Lab Mat Proc & Die & Mould Technol Wuhan 430074 Hubei Peoples R China;

    Huazhong Univ Sci & Technol Sch Mat Sci & Engn State Key Lab Mat Proc & Die & Mould Technol Wuhan 430074 Hubei Peoples R China;

    Huazhong Univ Sci & Technol Sch Mat Sci & Engn State Key Lab Mat Proc & Die & Mould Technol Wuhan 430074 Hubei Peoples R China;

    Huazhong Univ Sci & Technol Sch Mat Sci & Engn State Key Lab Mat Proc & Die & Mould Technol Wuhan 430074 Hubei Peoples R China;

    Huazhong Univ Sci & Technol Sch Mat Sci & Engn State Key Lab Mat Proc & Die & Mould Technol Wuhan 430074 Hubei Peoples R China;

    Huazhong Univ Sci & Technol Sch Mat Sci & Engn State Key Lab Mat Proc & Die & Mould Technol Wuhan 430074 Hubei Peoples R China;

    Huazhong Univ Sci & Technol Sch Mat Sci & Engn State Key Lab Mat Proc & Die & Mould Technol Wuhan 430074 Hubei Peoples R China;

    Huazhong Univ Sci & Technol Sch Mat Sci & Engn State Key Lab Mat Proc & Die & Mould Technol Wuhan 430074 Hubei Peoples R China;

    Huazhong Univ Sci & Technol Sch Mat Sci & Engn State Key Lab Mat Proc & Die & Mould Technol Wuhan 430074 Hubei Peoples R China;

    Huazhong Univ Sci & Technol Sch Mat Sci & Engn State Key Lab Mat Proc & Die & Mould Technol Wuhan 430074 Hubei Peoples R China;

    Inst Ciencia Mat Madrid Dept Energy & Environm E-28049 Madrid Spain;

    Southern Univ Sci & Technol Dept Phys Shenzhen 518055 Peoples R China;

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  • 正文语种 eng
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  • 关键词

    crystallization-controlled synthesis; high-rate capability; Prussian blue analogs; structure distortion;

    机译:结晶控制合成;高速度能力;普鲁士蓝色类似物;结构扭曲;

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