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首页> 外文期刊>RSC Advances >Two-dimensional graphene-HfS(2)van der Waals heterostructure as electrode material for alkali-ion batteries
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Two-dimensional graphene-HfS(2)van der Waals heterostructure as electrode material for alkali-ion batteries

机译：二维石墨烯-HFS（2）范德瓦尔斯异质结构作为碱离子电池的电极材料

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摘要

Poor electrical conductivity and large volume expansion during repeated charge and discharge is what has characterized many battery electrode materials in current use. This has led to 2D materials, specifically multi-layered 2D systems, being considered as alternatives. Among these 2D multi-layered systems are the graphene-based van der Waals heterostructures with transition metal di-chalcogenides (TMDCs) as one of the layers. Thus in this study, the graphene-hafnium disulphide (Gr-HfS2) system, has been investigated as a prototype Gr-TMDC system for application as a battery electrode. Density functional theory calculations indicate that Gr-HfS(2)van der Waals heterostructure formation is energetically favoured. In order to probe its battery electrode application capability, Li, Na and K intercalants were introduced between the layers of the heterostructure. Li and K were found to be good intercalants as they had low diffusion barriers as well as a positive open circuit voltage. A comparison of bilayer graphene and bilayer HfS(2)indicates that Gr-HfS(2)is a favourable battery electrode system.
机译：反复充电和放电期间的导电性差和大量扩展是在当前使用时表征许多电池电极材料的特征。这导致了2D材料，特别是多层2D系统，被视为替代方案。在这些2D多层系统中，是基于石墨烯的VAN der WaAss异质结构，其具有过渡金属二硫代硫代硫代磷酸（TMDC）作为层之一。因此，在本研究中，已经研究了石墨烯 - 铪（GR-HFS2）系统作为用于应用作为电池电极的原型GR-TMDC系统。密度函数理论计算表明GR-HFS（2）范德瓦尔斯异质结构是充满活力的青睐。为了探测其电池电极应用能力，在异质结构的层之间引入Li，Na和K插入物。发现Li和K是良好的插入性，因为它们具有低扩散障碍以及正开路电压。双层石墨烯和双层HFS（2）的比较表明GR-HFS（2）是良好的电池电极系统。

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  • 来源
    《RSC Advances》 |2020年第50期|共12页
  • 作者

    Kingori Gladys W.; Ouma Cecil N. M.; Mishra Abhishek K.; Amolo George O.; Makau Nicholas W.;

  • 作者单位

    Univ Eldoret POB 1125 Eldoret 30100 Kenya;

    North West Univ Fac Engn HySA Infrastruct Private Bag X6001 ZA-2520 Potchefstroom South Africa;

    Univ Petr &

    Energy Studies Sch Engn Dept Phys Bidholi Via Premnagar Dehra Dun 248007 Uttarakhand India;

    Tech Univ Kenya Haile Selassie Ave POB 52428 Nairobi 00200 Kenya;

    Univ Eldoret POB 1125 Eldoret 30100 Kenya;

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  • 正文语种 eng
  • 中图分类 化学;
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