| 金刚石（111）附H表面分子簇模型的边缘效应对势能计算的影响 |
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| 引用本文： | 刘波,钱兴中.金刚石（111）附H表面分子簇模型的边缘效应对势能计算的影响[J].原子与分子物理学报,1994,11(3):271-275. |
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| 作者姓名： | 刘波 钱兴中 |
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| 作者单位： | 吉林大学原子与分子物理研究所 |
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| 摘 要： | 通过计算甲基吸附于金刚石（１１１）附Ｈ表面及金刚石（１１１）附Ｈ表面脱Ｈ过程的势能及其它物理参量的变化，讨论了边缘效应对势能计算的影响，给出了这一影响的数量级及进一步修正边缘效频的方法。
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| 关 键 词： | 金刚石 吸附 势能 氢 分子簇模型 |
THE BORDERLINE EFFECTS OF CLUSTER MODEL OF HYDROGENATED DIAMOND(111) SURFACE ON THE INTERACTIVE POTENTIAL |
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| Liu Bo,Qian Xingzhong,Dai Zhenwen,Rong Cuiqing, Pan Shoufu.THE BORDERLINE EFFECTS OF CLUSTER MODEL OF HYDROGENATED DIAMOND(111) SURFACE ON THE INTERACTIVE POTENTIAL[J].Journal of Atomic and Molecular Physics,1994,11(3):271-275. |
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| Authors: | Liu Bo Qian Xingzhong Dai Zhenwen Rong Cuiqing Pan Shoufu |
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| Abstract: | The borderfline effects of cluster model on the interactive potential was discussed by thestudy of the changes of the physical parameters and the interactive potential in the processes ofCH3 adsorbing on hydrogenated diamond(111) surface and abstracting H atom from it. The order of magnitude and an approving method of the effect were given in this article. |
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| Keywords: | Diamond Surface absorbing Abstracting hydrogen Potential energy |
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