利用价带光电子能谱对Pt3M（M = Ti、V、Cr、Fe、Co、Ni）多晶合金的电子结构进行的研究。

A study of electronic structures of Pt3M (M=Ti,V,Cr,Fe,Co,Ni) polycrystalline alloys with valence-band photoemission spectroscopy.

作者信息

Mun Bongjin Simon, Watanabe Masamitsu, Rossi Massimiliano, Stamenkovic Vojislav, Markovic Nenad M, Ross Philip N

机构信息

Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.

出版信息

J Chem Phys. 2005 Nov 22;123(20):204717. doi: 10.1063/1.2126662.

DOI:10.1063/1.2126662

PMID:16351303

Abstract

The surface valence-band densities of states (DOS) of Pt(3)M (M=Ti,V,Cr,Fe,Co,Ni) polycrystalline alloys were investigated with ultraviolet photoemission spectroscopy. Upon annealing the ion-sputter-cleaned alloys at high temperatures, the observed valence-band DOS spectra clearly show the modified electronic structures on the surfaces suggesting the surface segregation of Pt as predicted in thermodynamic models. The measured d-band centers and widths for the annealed alloy surfaces show qualitatively the same trend as predicted by density-functional-theory calculations based on the model of a Pt "skin" on the topmost surface layer and a subsurface layer enriched in the 3d transition metal.

摘要

利用紫外光电子能谱研究了Pt(3)M（M = Ti、V、Cr、Fe、Co、Ni）多晶合金的表面价带态密度（DOS）。在高温下对离子溅射清洁后的合金进行退火处理后，观察到的价带DOS光谱清楚地显示了表面电子结构的改变，这表明正如热力学模型所预测的那样，Pt发生了表面偏析。对退火合金表面测量得到的d带中心和宽度在定性上与基于最表层Pt“皮”和富含3d过渡金属的次表层模型的密度泛函理论计算所预测的趋势相同。