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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应的方法。
The influence of edge effect on the calculation of potential energy is discussed by calculating the potential energy and other physical parameters of the methyl groups adsorbed on the H surface of diamond (111) and the H surface of diamond (111) Order of magnitude and methods of further correcting for edge effects.