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首页> 外文期刊>Advanced Functional Materials >Vanadium Doping Enhanced Electrochemical Performance of Molybdenum Oxide in Lithium-Ion Batteries
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Vanadium Doping Enhanced Electrochemical Performance of Molybdenum Oxide in Lithium-Ion Batteries

机译：钒掺杂增强了锂离子电池中氧化钼的电化学性能

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摘要

Molybdenum trioxide (MoO3) suffers from poor conductivity, a low rate capability, and unsatisfactory cycling stability in lithium-ion batteries. The aliovalent ion doping may present an effective way to improve the electrochemical performances of MoO3. Here, it is shown, by first-principle calculations, that doping MoO3 with V by 12.5% can modulate significantly electronic structure and provide a small diffusion barrier for enhancing the electrochemical performance of MoO3. The ultralong Mo0.88V0.12O2.94 nanostructures, which retain the h-MoO3 structure and present an exceptionally high conductivity and fast ionic diffusion due to the substitution of V, facilitating lithiation/delithiation behavior, and induce a fine nanosized structure with a reduced volume change are prepared. As a result, the stress and strain are alleviated during the Li-ion intercalation/deintercalation processes, improving the cycling stability and rate capability. Such a large improvement in the electrochemical properties can be ascribed to the stabilizing effect of V, the small migration energy barrier, and short diffusion path, which arise from the introduction of V into MoO3. The unique engineering strategy and facile synthesis route open up a new avenue in modifying and developing other species of electrode materials.
机译：三氧化钼（MoO3）在锂离子电池中具有导电性差，倍率能力低和循环稳定性差的缺点。铝价离子掺杂可能是改善MoO3电化学性能的有效方法。在此，通过第一性原理计算表明，以12.5％的V掺杂MoO 3可以显着地调节电子结构并提供小的扩散势垒以增强MoO 3的电化学性能。超长Mo0.88V0.12O2.94纳米结构，保留了h-MoO3结构，由于取代了V而具有极高的电导率和快速的离子扩散，有利于锂化/脱锂行为，并诱导了具有减小的纳米级结构准备好音量变化。结果，在锂离子嵌入/脱嵌过程中减轻了应力和应变，从而改善了循环稳定性和倍率性能。电化学性能的如此大的提高可以归因于V的稳定作用，较小的迁移能垒和较短的扩散路径，这是由于将V引入MoO3引起的。独特的工程策略和便捷的合成途径为修饰和开发其他种类的电极材料开辟了一条新途径。

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  • 来源
    《Advanced Functional Materials》 |2019年第2期|1805227.1-1805227.8|共8页
  • 作者

    Qu Gan; Wang Jun; Liu Guangyou; Tian Bingbing; Su Chenliang; Chen Zhesheng; Rueff J. Ean-Pascal; Wang Zhongchang;

  • 作者单位

    Shenzhen Univ, Lab 2D Mat Optoelect Sci & Technol, SZU NUS Collaborat Ctr & Int Collaborat, Coll Optoelect Engn, Shenzhen 518060, Peoples R China;

    Shenzhen Univ, Lab 2D Mat Optoelect Sci & Technol, SZU NUS Collaborat Ctr & Int Collaborat, Coll Optoelect Engn, Shenzhen 518060, Peoples R China|Int Iberian Nanotechnol Lab INL, Dept Quantum & Energy Mat, P-4715330 Braga, Portugal;

    Shenzhen Univ, Lab 2D Mat Optoelect Sci & Technol, SZU NUS Collaborat Ctr & Int Collaborat, Coll Optoelect Engn, Shenzhen 518060, Peoples R China;

    Shenzhen Univ, Lab 2D Mat Optoelect Sci & Technol, SZU NUS Collaborat Ctr & Int Collaborat, Coll Optoelect Engn, Shenzhen 518060, Peoples R China;

    Shenzhen Univ, Lab 2D Mat Optoelect Sci & Technol, SZU NUS Collaborat Ctr & Int Collaborat, Coll Optoelect Engn, Shenzhen 518060, Peoples R China;

    Lorme Merisiers, Soc Civile Synchrotron SOLEIL, St Aubin BP 48, F-91192 Gif Sur Yvette, France;

    Lorme Merisiers, Soc Civile Synchrotron SOLEIL, St Aubin BP 48, F-91192 Gif Sur Yvette, France|Sorbonne Univ, CNRS, LCPMR, F-75005 Paris, France;

    Int Iberian Nanotechnol Lab INL, Dept Quantum & Energy Mat, P-4715330 Braga, Portugal;

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  • 正文语种 eng
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  • 关键词

    electrochemical performances; first-principles calculations; lithium-ion batteries; MoO3; ultralong Mo0.88V0.12O2.94 nanostructures;

    机译：电化学性能;第一性原理计算;锂离子电池;MoO3;超长Mo0.88V0.12O2.94纳米结构;

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