高等学校化学学报

高等学校化学学报 ›› 2000, Vol. 21 ›› Issue (3): 444.

• 论文 • 上一篇    下一篇

金刚石(111)光滑表面上甲基合成金刚石薄膜的成核生长机理

刘靖尧1, 丁益宏1, 刘波4, 戴振文2, 潘守甫3   

  1. 1. 吉林大学理论化学研究所, 理论化学计算国家重点实验室, 长春 130023;
    2. 吉林大学物理系;
    3. 吉林大学原子与分子物理研究所, 长春 130023;
    4. 海军大连舰艇学院物理教研室, 大连 116000
  • 收稿日期:1999-10-28 出版日期:2000-03-24 发布日期:2000-03-24
  • 通讯作者: 刘靖尧(1971年出生),女,博士,讲师,从事量子化学研究.
  • 基金资助:

    国家教育部博士点基金(批准号:96018313)

Mechanisms of Kernel-forming and Growth of Diamond (111) Smooth Surface from Methyl

LIU Jing-Yao1, DING Yi-Hong1, LIU Bo4, DAI Zhen-Wen2, PAN Shou-Fu3   

  1. 1. Instituteof Theoretical Chemistry, State Key Laboratory of Theoreticaland Computational Chemistry;
    2. Departmentof Physics Jilin University;
    3. Instituteof Atomicand Molecular Physics, Jilin University,
    Changchun 130023;
    4. Physics Room, Dalian Navy Instituteof Vessels, Dalian 116000, China
  • Received:1999-10-28 Online:2000-03-24 Published:2000-03-24

PDF (PC)

被引次数

2

摘要： 运用量子力学半经验分子轨道AM1方法,计算了金刚石(111)光滑表面上甲基合成金刚石薄膜的成核和生长反应过程的机理,给出反应体系和过渡态的能量.结果表明,甲基是金刚石(111)表面上金刚石成核和外延生长的有效生长成分.

关键词: 金刚石, 薄膜, 甲基, 成核生长机理

Abstract: The AM1 semi empirical quantum mechanical method was used to calculate the mechanisms of kernel forming and growth on diamond (111) smooth surface by using methyl as gaseous growth species. The energies of reaction system in each step of kernel forming and growth reaction pathway were obtained. The results show that methyl can greatly contribute to the processes of kernel forming and growth of diamond on (111) smooth surface.

Key words: Diamond, Film, Methyl, Mechanism of kernel-forming and growth

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