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arXiv 0711.3548cond-mat.mtrl-scicond-mat.other
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等离子体表面相互作用的分子动力学模拟

Molecular Dynamics Simulation of Plasma Surface Interaction

Atsushi Ito, Hiroaki Nakamura

摘要:

提出了一种新的层间分子间势模型,它代表了石墨的“ABAB”堆积。采用分子动力学模拟研究了氢原子在石墨表面的溅射过程。在初始的短时间内,氢原子在维持石墨烯的扁平结构的同时,在各个入射能量下产生了不同的相互作用过程。第一石墨烯通常吸附5eV的氢原子,并反射几乎所有的15eV的氢原子。以30 eV注入的氢原子渗透到石墨表面内部并吸附在层间。仅在入射电压为5 eV的情况下观察到C2H2在透明石墨表面上的解吸。分子动力学模拟和径向分布函数的动画显示,石墨烯是以一定的间隔依次剥离的。与入射能量相同,所产生的分子通常具有以氢原子为末端的链状结构。与没有层间分子间力的情况相比,冲蚀产额增加。

英文摘要:

New interlayer intermolecular potential model was proposed and it represented ``ABAB'' staking of graphite. Hydrogen atom sputtering on graphite surface was investigated using molecular dynamics simulation. In the initial short time period, maintaining the flat structure of graphenes, hydrogen atoms brought about the difference interaction process in each incident energy. The first graphene often adsorbed 5 eV hydrogen atoms and reflected almost all of 15 eV hydrogen atoms. The hydrogen atoms which were injected at 30 eV penetrated into the inside of the graphite surface and were adsorbed between interlayer. The desorption of C2H2 on the clear graphite surface was observed in only the case incident at 5 eV. The animation of the MD simulation and radial distribution function indicated that the graphenes were peeled off one by one at regular interval. In common to the incident energy, the yielded molecules often had chain structures terminated by hydrogen atoms. The erosion yield increased compared with the case of no interlayer intermolecular force.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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