Journal of Guangdong University of Technology ›› 2010, Vol. 27 ›› Issue (2): 47-49.

• Comprehensive Studies • Previous Articles     Next Articles

Theoretical Study of the Absorption of M ethanol on the Nano-Pt Surface

  

  1. Faculty of Electro-mechanical Engineering，Guangdong University of Technology，Guangzhou 510006，China
  • Online:2010-06-25 Published:2010-06-25

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Abstract: The density functional theory(DH')was used to investigate the methanol on Nano-Pt surface．Some properities，including absorption energy，bond lengths of C-H and C-Pt，and density of state，were calculated．The resuets show that the Fermi level model moves to the right．After absorption，C—H weakens，its bond length is longer than before，the interaction between inner Pt atoms weakens too．At the same time a low barrier has to be overcome during the process of absorption．

Key words: density function theory(DFF)；methane；nano-Pt；absorption

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