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Few-Layer Antimonene: Anisotropic Expansion and Reversible Crystalline-Phase Evolution Enable Large-Capacity and Long-Life Na-Ion Batteries
ACS Nano ( IF 15.8 ) Pub Date : 2018-02-03 00:00:00 , DOI: 10.1021/acsnano.7b08714 Weifeng Tian 1 , Shengli Zhang 2 , Chengxue Huo 2 , Daming Zhu 1 , Qingwei Li 1 , Lei Wang 1 , Xiaochuan Ren 1 , Lei Xie 1 , Shiying Guo 2 , Paul K. Chu 3 , Haibo Zeng 2 , Kaifu Huo 1
ACS Nano ( IF 15.8 ) Pub Date : 2018-02-03 00:00:00 , DOI: 10.1021/acsnano.7b08714 Weifeng Tian 1 , Shengli Zhang 2 , Chengxue Huo 2 , Daming Zhu 1 , Qingwei Li 1 , Lei Wang 1 , Xiaochuan Ren 1 , Lei Xie 1 , Shiying Guo 2 , Paul K. Chu 3 , Haibo Zeng 2 , Kaifu Huo 1
Affiliation
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Two-dimensional (2D) antimonene is a promising anode material in sodium-ion batteries (SIBs) because of its high theoretical capacity of 660 mAh g–1 and enlarged surface active sites. However, its Na storage properties and sodiation/desodiation mechanism have not been fully explored. Herein, we propose the sodiation/desodiation reaction mechanism of 2D few-layer antimonene (FLA) based on results acquired by in situ synchrotron X-ray diffraction, ex situ selected-area electron diffraction, and theoretical simulations. Our study shows that the FLA undergoes anisotropic volume expansion along the a/b plane and exhibits reversible crystalline phase evolution (Sb ⇋ NaSb ⇋ Na3Sb) during cycling. Density-functional theory calculations demonstrate that the FLA has a small Na-ion diffusion barrier of 0.14 eV. The FLA delivers a larger capacity of 642 mAh g–1 at 0.1 C (1 C = 660 mA g–1) and a high rate capability of 429 mAh g–1 at 5 C and maintains a stable capacity of 620 mA g–1 at 0.5 C with 99.7% capacity retention from the 10th to the 150th cycle. Considering the 660 mAh g–1 theoretical capacity of Sb, the electrochemical utilization of Sb atoms of FLA is as high as 93.9% at a rate of 0.5 C for over 150 cycles, which is the highest capacity and Sb utilization ratio reported so far. Our study discloses the Na storage mechanism of 2D FLA, boosting promising applications of 2D materials for advanced SIBs.
中文翻译：
多层锑锭：各向异性的膨胀和可逆的结晶相演化实现了大容量和长寿命的钠离子电池
二维（2D）锑烯是钠离子电池（SIB）中很有希望的阳极材料，因为它的理论容量高达660 mAh g –1，并且具有较大的表面活性位。然而，尚未充分探索其钠存储性质和成/脱质机理。在此，我们基于原位同步加速器X射线衍射，非原位选择区域电子衍射和理论模拟所获得的结果，提出了2D数层锑层（FLA）的增盐/脱氧反应机理。我们的研究表明，FLA沿a / b平面发生各向异性的体积膨胀，并表现出可逆的结晶相演化（Sb⇋NaSb⇋Na 3sb）在骑车期间。密度泛函理论计算表明，FLA的Na离子扩散势垒很小，为0.14 eV。FLA在0.1 C（1 C = 660 mA g –1）时可提供642 mAh g –1的较大容量，在5 C时可提供429 mAh g –1的高倍率容量，并保持620 mA g –1的稳定容量从第10次到第150次循环，在0.5 C下保持99.7％的容量保持率。考虑到660 mAh g –1从Sb的理论容量来看，FLA的Sb原子在150个循环中以0.5 C的速率电化学利用率高达93.9％，这是迄今为止报道的最高容量和Sb利用率。我们的研究揭示了2D FLA的钠存储机制，从而促进了2D材料在高级SIB中的应用前景。
更新日期：2018-02-03
中文翻译：
多层锑锭：各向异性的膨胀和可逆的结晶相演化实现了大容量和长寿命的钠离子电池
二维（2D）锑烯是钠离子电池（SIB）中很有希望的阳极材料，因为它的理论容量高达660 mAh g –1，并且具有较大的表面活性位。然而，尚未充分探索其钠存储性质和成/脱质机理。在此，我们基于原位同步加速器X射线衍射，非原位选择区域电子衍射和理论模拟所获得的结果，提出了2D数层锑层（FLA）的增盐/脱氧反应机理。我们的研究表明，FLA沿a / b平面发生各向异性的体积膨胀，并表现出可逆的结晶相演化（Sb⇋NaSb⇋Na 3sb）在骑车期间。密度泛函理论计算表明，FLA的Na离子扩散势垒很小，为0.14 eV。FLA在0.1 C（1 C = 660 mA g –1）时可提供642 mAh g –1的较大容量，在5 C时可提供429 mAh g –1的高倍率容量，并保持620 mA g –1的稳定容量从第10次到第150次循环，在0.5 C下保持99.7％的容量保持率。考虑到660 mAh g –1从Sb的理论容量来看，FLA的Sb原子在150个循环中以0.5 C的速率电化学利用率高达93.9％，这是迄今为止报道的最高容量和Sb利用率。我们的研究揭示了2D FLA的钠存储机制，从而促进了2D材料在高级SIB中的应用前景。
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