Hui Zhang, Guo-ying Zhang, Rui-dan Wang. Influence of Glycine Adsorption on Segregation of Ni-Cu (110) Surface[J]. Chinese Journal of Chemical Physics , 2007, 20(5): 587-592. doi: 10.1088/1674-0068/20/05/587-592
Citation: Hui Zhang, Guo-ying Zhang, Rui-dan Wang. Influence of Glycine Adsorption on Segregation of Ni-Cu (110) Surface[J]. Chinese Journal of Chemical Physics , 2007, 20(5): 587-592. doi: 10.1088/1674-0068/20/05/587-592

Influence of Glycine Adsorption on Segregation of Ni-Cu (110) Surface

doi: 10.1088/1674-0068/20/05/587-592
  • Received Date: 2007-01-30
  • Rev Recd Date: 2007-06-05
  • An atomic group model of the disordered binary alloy NixCu1-x (x=0.4) was constructed to investigate surface segregation. According to the model, the electronic structure of the NixCu1-x alloy surface was calculated by the Recursion method when glycine atoms are adsorbed on the NixCu1-x (110) surface under the condition of 0.33 coverage. The calculation results indicate that Cu is segregated on the surface of the NixCu1-x alloy, and the chemisorption of glycine restrains the segregation. In addition, the chemical adsorption of glycine greatly changes the density of states of the alloy surface near the Fermi level, and there is electric charge transfer between the alloy surface and the glycine.
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    沈阳化工大学材料科学与工程学院 沈阳 110142

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Influence of Glycine Adsorption on Segregation of Ni-Cu (110) Surface

doi: 10.1088/1674-0068/20/05/587-592

Abstract: An atomic group model of the disordered binary alloy NixCu1-x (x=0.4) was constructed to investigate surface segregation. According to the model, the electronic structure of the NixCu1-x alloy surface was calculated by the Recursion method when glycine atoms are adsorbed on the NixCu1-x (110) surface under the condition of 0.33 coverage. The calculation results indicate that Cu is segregated on the surface of the NixCu1-x alloy, and the chemisorption of glycine restrains the segregation. In addition, the chemical adsorption of glycine greatly changes the density of states of the alloy surface near the Fermi level, and there is electric charge transfer between the alloy surface and the glycine.

Hui Zhang, Guo-ying Zhang, Rui-dan Wang. Influence of Glycine Adsorption on Segregation of Ni-Cu (110) Surface[J]. Chinese Journal of Chemical Physics , 2007, 20(5): 587-592. doi: 10.1088/1674-0068/20/05/587-592
Citation: Hui Zhang, Guo-ying Zhang, Rui-dan Wang. Influence of Glycine Adsorption on Segregation of Ni-Cu (110) Surface[J]. Chinese Journal of Chemical Physics , 2007, 20(5): 587-592. doi: 10.1088/1674-0068/20/05/587-592

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