| 含氢碳膜的生长机制: 分子动力学模拟研究低能量CH基团的作用 |
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| 引用本文： | 宋青,吉利,权伟龙,张磊,田苗,李红轩,陈建敏.含氢碳膜的生长机制: 分子动力学模拟研究低能量CH基团的作用[J].物理学报,2012,61(3):30701-030701. |
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| 作者姓名： | 宋青 吉利 权伟龙 张磊 田苗 李红轩 陈建敏 |
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| 作者单位： | 1. 兰州交通大学数理与软件工程学院,兰州,730070
2. 中国科学院兰州化学物理研究所固体润滑国家重点实验室,兰州,730000 |
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| 基金项目： | 国家自然科学基金(批准号: 50705093和50575217)、国家创新团队基金(批准号: 50421502)和国家重点基础研究计划(批准号: 2007 CB607601)资助的课题. |
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| 摘 要： | 探索等离子增强化学气相沉积(PECVD)技术中含氢碳膜的生长机理, 制备出常态超润滑含氢碳膜是表面工程技术领域的目标之一. 基于REBO势函数, 采用分子动力学模拟方法, 通过对比研究CH基团在清洁金刚石和吸氢金刚石表面的沉积行为, 发现低能量CH基团在清洁金刚石(111)面上的吸附效率大于98%, 而在吸氢金刚石(111)面上的吸附效率低于1%. 结果表明PECVD法制备含氢碳膜时, 低能量CH基团对薄膜生长的贡献主要来自于其在表面非饱和C位置的选择性吸附.
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| 关 键 词： | 碳膜生长 CH基团 分子动力学模拟 |
| 收稿时间： | 2011-03-12 |
Growth mechanism of hydrogenated carbon films: molecular dynamics simulations of the effects of low energy CH radical |
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| Song Qing,Ji Li,Quan Wei-Long,Zhang Lei,Tian Miao,Li Hong-Xuan and Chen Jian-Min.Growth mechanism of hydrogenated carbon films: molecular dynamics simulations of the effects of low energy CH radical[J].Acta Physica Sinica,2012,61(3):30701-030701. |
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| Authors: | Song Qing Ji Li Quan Wei-Long Zhang Lei Tian Miao Li Hong-Xuan and Chen Jian-Min |
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| Institution: | School of Mathematics, Physics and Software Engineering, Lanzhou Jiaotong University, Lanzhou 730070, China;State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000, China;School of Mathematics, Physics and Software Engineering, Lanzhou Jiaotong University, Lanzhou 730070, China;School of Mathematics, Physics and Software Engineering, Lanzhou Jiaotong University, Lanzhou 730070, China;School of Mathematics, Physics and Software Engineering, Lanzhou Jiaotong University, Lanzhou 730070, China;State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000, China;State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000, China |
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| Abstract: | Molecular dynamics simulations are carried out to investigate the effect of low energy CH radical on the growth of hydrogenated carbon film. The results show that the adsorption rate of CH on clear diamond(111) is about 98%, while on hydrogenated diamond (111) the adsorption rate is lower than 1%. It indicates that the selective adsorption of low energy CH radical at the unsaturated surface C site is the dominated mechanism of the hydrogenated carbon film growth in PECVD. |
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| Keywords: | carbon film growth CH radical molecular dynamics simulation |
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