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1. 复旦大学现代物理研究所
2. 中国科学院上海冶金研究所离子束开放实验室
3. 复旦大学现代物理研究所中国科学院上海冶金研究所离子束开放实验室
Published:01 July 1998
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[1]谢军,潘正瑛,满振勇.C60与吸氢金刚石(111)表面碰撞崐的模拟研究[J].核技术,1998(07):397-402.
XIE Jun PAN Zhengying MAN Zhenyong. Simulations of C60 collisions with a hydrogen-terminated diamond (111) surface[J]. Nuclear techniques, 1998, (7).
用分子动力学方法研究了C60与吸氢的金刚石(111)表面碰撞特性与注入能量的大系。原子间的相互作用采用半经验的Brenner多体势函数。结果表明,当入射能量小于200eV时,C60只是完整地从表面反弹;当入射能量为200-300eV时,C60可与底靶发生化学反应;当注入能量>300eV时,C60可与表面形成多个化学键而吸附在衬底表面。此外,计算机模拟计算还给出了C60-金刚石表面碰撞的微观过程,并从原子层次研究了C60表面沉积的成键机制。
The dependence of collision dynamics between C60 and a hydrogen-terminated diamond(111) surface on the impinging energy of C60 has been studied by means of molecular dynamics simulations. The Brenner potential has been used to describe the interaction between atoms in the system composed of carbon and hydrogen. It is found that the C60 molecule is reflected intact at energies up to about 200eV. For medium impact energies
chemical reactions may occur. The formation of bonds between C60 and the surface of the target has been observed at energies about 300eV. Furthermore
the present study provides a microscopic explanation of the collision process and gives insight into the deposition mechanism of C60 on substrates.
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