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Theoretical study on molecular reaction dynamics of the SiH2 system

Zhu Zheng-He Yang Xiang-Dong Feng Xing Liu Xiao-Ya Huang Wei

Theoretical study on molecular reaction dynamics of the SiH2 system

Zhu Zheng-He, Yang Xiang-Dong, Feng Xing, Liu Xiao-Ya, Huang Wei
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  • Received Date:  27 March 2008
  • Accepted Date:  24 April 2009
  • Published Online:  20 December 2009

Theoretical study on molecular reaction dynamics of the SiH2 system

  • 1. (1)四川大学原子与分子物理研究所,成都 610065; (2)四川大学原子与分子物理研究所,成都 610065;四川农业大学生命科学与理学院,雅安 625014; (3)中国工程物理研究院,绵阳 621900

Abstract: The atomic and molecular reaction dynamics for Si(1Dg)+H2(0,0)and H(2Sg)+SiH(0,0) have been studied on the potential energy function SiH2(X1A1) by Monte-Carlo quasi-classical trajectory approach.It is shown that the reaction Si(1Dg)+H2(0,0)has no threshold energy,and the principal product of this reaction is SiH2(X1A1).However, the reaction H(2Sg)+SiH (0,0) gives a great number of products of the interchange reaction of H(2Sg)+SiH (0,0)→Si(1Dg)+H2(0,0),and it has also no energy threshold.

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