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Charge Distribution View: Large Difference in Friction Performance Between Graphene and Hydrogenated Graphene Systems

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Abstract

Density functional theory calculations including dispersion correction (DFT-D2) were used to investigate the relationship between charge distribution and nanofriction characteristics of graphene-based material systems. In our calculations, the single-side-hydrogenated graphene (SSHGraphene) system exhibits lower coefficient of friction, whereas the graphane system exhibits larger one compared with graphene system. These results are attributed to the adjustments of interfacial charge distribution that are induced by different hydrogen passivations. The charge distribution is smooth along the sliding direction for the SSHGraphene sheet, which yields a small potential barrier. Corrugation of the charge distribution in graphane system is much steeper than that in graphene system, which leads to a larger potential barrier. Comparative investigations reveal that the interfacial charge distributions determine the nanofriction performance, which may be helpful for friction modulation and design of new controlling lubricant material.

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Acknowledgments

The work was supported by Key Basic Research Project of China (Grant No. 2012CB921300), National Natural Science Foundation of China (Grant No. 11274280), Natural Science Foundation of Henan Province (Grant No. 142300410250), and Foundation of Henan Educational Committee (Grant No. 14A140025).

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Authors and Affiliations

  1. College of Science, Zhongyuan University of Technology, Zhengzhou, 450007, Henan, China

    Jianjun Wang & Lili Fang

  2. Department of Physics, Henan Institute of Education, Zhengzhou, 450046, Henan, China

    Jinming Li

  3. International Joint Research Laboratory for Quantum Functional Materials of Henan, Zhengzhou University, Zhengzhou, 450001, China

    Jianjun Wang, Qiang Sun & Yu Jia

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  1. Jianjun Wang
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  2. Jinming Li
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  3. Lili Fang
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  4. Qiang Sun
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  5. Yu Jia
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Correspondence to Jianjun Wang or Yu Jia.

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Wang, J., Li, J., Fang, L. et al. Charge Distribution View: Large Difference in Friction Performance Between Graphene and Hydrogenated Graphene Systems. Tribol Lett 55, 405–412 (2014). https://doi.org/10.1007/s11249-014-0370-8

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  • DOI: https://doi.org/10.1007/s11249-014-0370-8

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