Comparison of Hydrogen Adsorption on Diamond and Graphite Surfaces

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概要

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• By a classical molecular dynamics (CMD) simulation with a modified Brenners 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 Ein = 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.

著者

• Saito Seiki

  Department Of Bioengineering Science Faculty Of Engineering. Okayama University

• Kajita Shin

  Ecotopia Science Institute Nagoya University

• Ohno Noriyasu

  Department Of Electrical Engineering Faculty Of Engineering Nagoya University

• Nakamura Hiroaki

  National Inst. Fusion Sci. Toki Jpn

• 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

• FUJIWARA Susumu

  Kyoto Institute of Technology, Kyoto 606-8585, Japan

• TAMURA Yuichi

  Konan University, 8-9-1 Okamoto, Higashinada, Kobe 658-8501, Japan

• FUJIWARA Susumu

  Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585, Japan

• ITO Atsuhi

  National Institute for Fusion Science,322-6 Oroshi-cho, Toki 509-5292, Japan

• KAJITA Shin

  EcoTopia Institute of Nagoya University

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