[Table of Contents]

Plasma and Fusion Research

Volume 5, S2072 (2010)

Regular Articles


Comparison of Hydrogen Adsorption on Diamond and Graphite Surfaces
Hiroaki NAKAMURA1,2), Atsuhi M. ITO1), Seiki SAITO2), Yuichi TAMURA3), Susumu FUJIWARA4), Noriyasu OHNO2) and Shin KAJITA5)
1)
National Institute for Fusion Science,322-6 Oroshi-cho, Toki 509-5292, Japan
2)
Department of Energy Engineering and Science, Graduate School of Engineering, Nagoya University, Nagoya 464-8603, Japan
3)
Konan University, 8-9-1 Okamoto, Higashinada-ku, Kobe 658-8501, Japan
4)
Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585, Japan
5)
EcoTopia Science Institute, Nagoya University, Nagoya 464-8603, Japan
(Received 6 December 2009 / Accepted 11 March 2010 / Published 10 December 2010)

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 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.


Keywords

molecular dynamics simulation, graphite, edge state, zigzag, armchair, diamond, sputtering, hydrogen, carbon, surface structure

DOI: 10.1585/pfr.5.S2072


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This paper may be cited as follows:

Hiroaki NAKAMURA, Atsuhi M. ITO, Seiki SAITO, Yuichi TAMURA, Susumu FUJIWARA, Noriyasu OHNO and Shin KAJITA, Plasma Fusion Res. 5, S2072 (2010).