摘要
用分子动力学方法模拟研究了荷能的C2和C10在金刚石(001)-(2X1)表面的化学吸附过程.主要讨论了团簇大小和入射能量对沉积团簇的结构特性的影响.随着入射能量的增加,C2和C10的沉积结构和自由团簇是不同的.研究结果支持了实验的发现,而且,从原子尺度模拟了沉积机制.
In this paper,the chemisorption of energetic C_2 and C_(10) clusters on diamond (001)-(2x1) surface was investigated by molecular dynamics simulation.The influence of cluster size and the impact energy on the structure character of the deposited clusters is mainly addressed.With increasing the impact energy,the structures of the deposited C_2 and C_(10) are different from the free clusters.Our result supports the experimental findings.Moreover,the simulation underlines the deposition mechanism at atomic scale.
出处
《内蒙古民族大学学报（自然科学版）》
2004年第3期264-267,共4页
Journal of Inner Mongolia Minzu University：Natural Sciences
关键词
分子动力学模拟
吸附结构
半经验多体势
Molecular dynamics simulation
Absorbing structure
Semi-empirical many-body potential
