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Effect of temperature and thickness of graphene on the hydrogen storage properties

机译：温度和石墨烯厚度对储氢性能的影响

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摘要

Hydrogen, of which the application is limited due to the difficulties in finding the ideal storage material, has been considered alternative for petroleum as the main energy source. With its large surface area and other extraordinary physical properties, graphene has been the focus of many researchers as the promising candidate for hydrogen storage and transportation. In this work, the hydrogen storage characteristics of graphene have been investigated by MD simulations. We found that, under the temperature of 70 K and the pressure of 1 MPa, the hydrogen uptake percentage can be as high as 54%. And the majority of the hydrogen atoms are absorbed during the initial 100- 200 ps of the simulation. Moreover, the hydrogen storage properties of graphene with different environment temperatures have been studied. We found that with increasing temperature, the hydrogen uptake percentage towards the end of the simulation decreases. Furthermore, the number of layers of the graphene sheet also exerts influence of the hydrogen absorption capability of the sample. We conclude that the more graphene sheets are being used, the less hydrogen atoms are being absorbed by the sample. Our work provides insight into optimizing the environmental temperature and thickness of the graphene sheet when designing novel energy storage devices, especially hydrogen storage devices.
机译：由于难以找到理想的储存材料，氢的应用受到限制，人们一直认为氢是石油的替代能源。石墨烯具有大的表面积和其他非凡的物理性能，因此成为许多研究人员的焦点，成为氢存储和运输的有希望的候选者。在这项工作中，通过MD模拟研究了石墨烯的储氢特性。我们发现，在70 K的温度和1 MPa的压力下，氢的吸收百分比可高达54％。在模拟的最初100-200 ps期间，大部分氢原子被吸收。此外，研究了不同环境温度下石墨烯的储氢性能。我们发现随着温度的升高，模拟结束时的氢吸收百分比会降低。此外，石墨烯片的层数也影响样品的氢吸收能力。我们得出的结论是，使用的石墨烯片越多，样品吸收的氢原子就越少。在设计新颖的储能设备（尤其是储氢设备）时，我们的工作将有助于优化石墨烯片的环境温度和厚度。

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  • 会议地点 Baltimore MD(US)
  • 作者

    Huang Jie; C. H. Wong;

  • 作者单位

    School of Mechanical and Aerospace Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798, Singapore;

    School of Mechanical and Aerospace Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798, Singapore;

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