Molecular dynamics simulation of bombardment of hydrogen atoms on graphite surface

被引:0
作者
Ito, A. [1 ]
Nakamura, H. [2 ]
机构
[1] Nagoya Univ, Grad Sch Sci, Dept Phys, Chikusa Ku, Nagoya, Aichi 4648602, Japan
[2] Natl Inst Fus Sci, Dept Simulat Sci, Toki, Gifu 5095292, Japan
关键词
plasma surface interaction; chemical sputtering; graphite; graphene; hydrogen atom;
D O I
暂无
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The new potential model of interlayer intermolecular interaction was proposed to represent "ABAB" stacking of graphite. The bombardment of hydrogen atoms on the graphite surface was investigated using molecular dynamics simulation. Before the first graphene from the surface side was broken, the hydrogen atoms caused the following processes. In the case of the incident energy of 5 eV, many hydrogen atoms were adsorbed on the front of the first graphite. In the case of the incident energy of 15 eV, almost all hydrogen atoms were reflected by the first graphene. In the case of the incident energy of 30 eV, the hydrogen atoms were adsorbed between the first and second graphenes. The radial distribution function and the animation of the MD simulation demonstrated that the graphenes were peeled off one by one, which is called graphite peeling. One C2H2 was generated in such chemical sputtering. But the other yielded molecules often had chain structures terminated by the hydrogen atoms. The erosion yield increased linearly with time.
引用
收藏
页码:592 / 610
页数:19
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