高等学校化学学报

高等学校化学学报 ›› 2000, Vol. 21 ›› Issue (S1): 418.

• Chemistry in Surface Science • 上一篇    下一篇

Environmental Catalysis of Vehicle Exhaust Gas:UBI-QEP Energetic Analysis

SUN Jie, LIN Jing-Dong, WANG Jing, LIAO Dai-Wei   

  1. State Key Lab of Phys. Chem. on Solid Surfaces, Dept, of Chem., Inst, of Phys. Chem., Xiamen University, Xiamen 361005
  • 出版日期:2000-12-31 发布日期:2000-12-31

Environmental Catalysis of Vehicle Exhaust Gas:UBI-QEP Energetic Analysis

SUN Jie, LIN Jing-Dong, WANG Jing, LIAO Dai-Wei   

  1. State Key Lab of Phys. Chem. on Solid Surfaces, Dept, of Chem., Inst, of Phys. Chem., Xiamen University, Xiamen 361005
  • Online:2000-12-31 Published:2000-12-31

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摘要：

The Vehicle exhaust gas generally contains nitrogen oxides and the fossil fuel which do greatly harm to air environment. Although the use of catalytic converters for the vehicle gas has resulted in considerable progress in the past twenty years, a theoretical framework for explaining the experimental observations fashion is still lacking. We use the UBI-QEP method[1] to analyze the chemisorbed species and calculate the energies of elementary reactions on following six mental single crystal surfaces:Pt(111),Pd(111), Rh(111),Ag(111),Cu(111) and Ni(111). It will help us to realize the reaction mechanism and choose the best suitable catalysts.

Abstract:

The Vehicle exhaust gas generally contains nitrogen oxides and the fossil fuel which do greatly harm to air environment. Although the use of catalytic converters for the vehicle gas has resulted in considerable progress in the past twenty years, a theoretical framework for explaining the experimental observations fashion is still lacking. We use the UBI-QEP method[1] to analyze the chemisorbed species and calculate the energies of elementary reactions on following six mental single crystal surfaces:Pt(111),Pd(111), Rh(111),Ag(111),Cu(111) and Ni(111). It will help us to realize the reaction mechanism and choose the best suitable catalysts.

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