| 低能C36团簇在金刚石(100)晶面沉积时的影响因素 |
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| 引用本文： | 陈明君,梁迎春,袁屹杰,李旦.低能C36团簇在金刚石(100)晶面沉积时的影响因素[J].化学物理学报,2007,20(6):637-642. |
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| 作者姓名： | 陈明君 梁迎春 袁屹杰 李旦 |
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| 作者单位： | 哈尔滨工业大学精密工程研究所,哈尔滨150001,哈尔滨工业大学精密工程研究所,哈尔滨150001,哈尔滨工业大学精密工程研究所,哈尔滨150001,哈尔滨工业大学精密工程研究所,哈尔滨150001 |
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| 摘 要： | "使用Brenner-LJ拟合势描述了金刚石与C36团簇原子间的相互作用,并用分子动力学模拟的方法研究单个C36(D6h)在金刚石(100)晶面的沉积机制．通过仿真实验分析了C36团簇的入射能量、入射点位置、入射姿势、入射角度等因素对其成核初期化学吸附过程以及沉积后其稳定性的影响．研究发现：由于C36入射点位置及入射姿势的不同,其在金刚石(100)晶面沉积时的沉积阈值最小值为20 eV,最大值为60 eV;在入射角不超过60o斜射时,由于水平运动分量的存在,C36可能翻滚及平滑至成键能量较小的区域后再成键
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| 关 键 词： | C36团簇 Brenner-LJ拟合势 沉积阈值 成键几率 |
| 收稿时间： | 2007/7/23 0:00:00 |
| 修稿时间： | 2007/7/23 0:00:00 |
Influential Factors of Low-energy C36 Cluster Deposition on Diamond (100) Crystal Plane |
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| Ming-jun Chen,Ying-chun Liang,Yi-jie Yuan and Dan Li.Influential Factors of Low-energy C36 Cluster Deposition on Diamond (100) Crystal Plane[J].Chinese Journal of Chemical Physics,2007,20(6):637-642. |
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| Authors: | Ming-jun Chen Ying-chun Liang Yi-jie Yuan and Dan Li |
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| Institution: | Center for Pecison Engineering, Harbin Institute of Technology, Harbin 150001, China,Center for Pecison Engineering, Harbin Institute of Technology, Harbin 150001, China,Center for Pecison Engineering, Harbin Institute of Technology, Harbin 150001, China,Center for Pecison Engineering, Harbin Institute of Technology, Harbin 150001, China |
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| Abstract: | "Brenner-LJ potential is adopted to describe the interactivity between diamond and C36 cluster, and the deposition mechanism of multi-C36 on the diamond surface is researched by molecular dynamics simulation. Through simulative experiments the incident energy, incident point, incident posture, incident angle and other factors are analyzed. Studies discover that the minimal deposition threshold is 20 eV and the maximum is 60 eV with the different incident point locations and incident postures of C36 clusters. When the incident angle is not over 60ffi, C36 may roll or slip to the region of smaller bonding energy and then bond. So the bonding probability is raised. Research results show that when incident angle is between 0ffi and 20ffi and incident energy range is from 30 eV to 60 eV, it is the optimal condition of single C36 cluster deposition on diamond (100) crystal plane." |
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| Keywords: | C36 cluster Brenner-LJ potential Deposition threshold Bonding probability |
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