Comparison of Hydrogen Adsorption on Diamond and Graphite Surfaces

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Author(s)

    • NAKAMURA Hiroaki
    • National Institute for Fusion Science,322-6 Oroshi-cho, Toki 509-5292, Japan|Department of Energy Engineering and Science, Graduate School of Engineering, Nagoya University, Nagoya 464-8603, Japan
    • ITO Atsuhi M.
    • National Institute for Fusion Science,322-6 Oroshi-cho, Toki 509-5292, Japan
    • SAITO Seiki
    • Department of Energy Engineering and Science, Graduate School of Engineering, Nagoya University, Nagoya 464-8603, Japan
    • TAMURA Yuichi
    • Konan University, 8-9-1 Okamoto, Higashinada-ku, Kobe 658-8501, Japan
    • FUJIWARA Susumu
    • Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585, Japan
    • OHNO Noriyasu
    • Department of Energy Engineering and Science, Graduate School of Engineering, Nagoya University, Nagoya 464-8603, Japan
    • KAJITA Shin
    • EcoTopia Science Institute, Nagoya University, Nagoya 464-8603, Japan

Abstract

By a classical molecular dynamics (CMD) simulation with a modified Brenner's reactive empirical bond-order (REBO) potential, we found that graphite with zigzag (1010) and armchair (1120) edge states is destroyed more easily than other structures, i.e., graphite with the (0001) surface, and diamond with the (100), (111), (120), and (110) surfaces. Experimental results indicated that graphite is eroded under hydrogen atom injection with E<sub>in</sub> = 0.3 eV, and that diamond is not eroded under the same conditions. Our simulation results are consistent with these experimental results. We also reveal the temperature and saturation dependence of the surface structure of carbon crystals.

Journal

  • Plasma and Fusion Research

    Plasma and Fusion Research (5), S2072-S2072, 2010

    The Japan Society of Plasma Science and Nuclear Fusion Research

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