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构成了Ｈ－ＣＵ，Ｈ－Ｐｔ相互作用的５参数Ｍｏｒｓｅ势，用经典的对势方法研究了氢原子在Ｃｕ（１００），ＣＵ（１１１），ＣＵ（１１０），Ｐｔ（１００），Ｐｔ（１１１），Ｐｔ（１１０）面上的吸附和扩散，得到了氢原子在６个表面上的吸附位、吸附几何、键能及本征振动等数据和实验结果附和得很好。同时系统地研究了６个体系的吸附扩散势能面结构。此外，还重点研究了氢原子在ＣＵ（１００）、Ｐｔ（１１１）两体系的吸附态之间经过渡态扩散的活化能，扩散系数及隧道效应对扩散系数的影响，这些工作都基本上达到预期的结果，证实了所采用的方法的可行性。
The five-parameter Morse potential of the interaction between H-Cu and H-Pt has been studied. By using the classical counter-potential method, the dependence of hydrogen on Cu (100), CU (111), CU (110), Pt 111) and Pt (110). The adsorption sites, adsorption geometries, bond energies and eigenvibration of hydrogen atoms on six surfaces were obtained and the experimental results were well matched. At the same time, the adsorption-diffusion potential energy surface structures of six systems were systematically studied. In addition, the effects of activation energy, diffusion coefficient and tunneling effect on the diffusion coefficient of hydrogen atom passing through the transition state between the adsorption states of Cu (100) and Pt (111) The expected results confirm the feasibility of the method used.