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Influence of Glycine Adsorption on Segregation of Ni-Cu (110) Surface
Hui Zhang*, Guo-ying Zhang, Rui-dan Wang
College of Physical Science and Technology, Shenyang Normal University, Shenyang 110034, China
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.
Key words:  Chemisorption, Surface segregation, Recursion method, Density of state
FundProject:the National Natural Science Foundation of China (No.50571071) and the Education Ministry Key Project for Science Research (No.99026)
甘氨酸吸附对Ni-Cu合金(110)表面偏析的影响
张辉*, 张国英, 王瑞丹
沈阳师范大学物理科学与技术学院,沈阳110034
摘要:
通过构造无序二元合金NixCu1-x(x=0.4)(110)表面的原子集团模型用来研究表面偏析. 根据这个模型,按覆盖度μ=0.33,应用Recursion方法计算了甘氨酸在NixCu1-x无序二元合金(110)表面吸附的电子结构. 结果表明,Ni0:4Cu0:6合金表面存在着Cu的偏析,甘氨酸的吸附抑制了Cu在表面的偏析,并使得合金表面的态密度在费米能级附近发生了很大变化,吸附时合金表面与甘氨酸之间发生了电荷转移.
关键词:  化学吸附,表面偏析,Recursion方法,态密度
DOI:10.1088/1674-0068/20/05/587-592
分类号: