Erosion of Graphene in Hydrogen Atom Gas
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概要
- 論文の詳細を見る
We investigated the erosion of graphene due to hydrogen atom adsorption using a molecular dynamics simulation with the modified Brenner's reactive empirical bond order potential. We found that a C–C bond that has adsorbed two hydrogen atoms on the opposite side of the graphene surface (para-overhang C–C bond) is broken first; the para-overhang C–C bond is considered to trigger the erosion. With time, the type of C–C bond that breaks changes from the para-overhang C–C bond to a C–C bond that has adsorbed one hydrogen atom, the mono-overhang C–C bond. In contrast, the C–C bond that has adsorbed two hydrogen atoms on the same side of the graphene surface (ortho-overhang) and the C–C bond without hydrogen atoms (flat C–C bond) are stable during the erosion process.
- Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
- 2008-06-25
著者
-
Nakamura Hiroaki
Department Of Anatomy Faculty Of Medicine Saitama Medical University
-
Ito Atsushi
Department Of Applied Chemistry College Of Engineering University Of Osaka Prefecture
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Ito Atsushi
Department of Physics, Graduate School of Science, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8602, Japan
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