Core-level binding energy shifts in Pt-Ru nanoparticles: A puzzle resolved

被引：30

作者：

Lewera, Adam

Zhou, Wei Ping

Hunger, Ralf

Jaegermann, Wolfram

Wieckowski, Andrzej

Yockel, Scott

Bagus, Paul S. ^{[1
]}

机构：

[1] Univ N Texas, Dept Chem, Denton, TX 76203 USA

[2] Univ Illinois, Dept Chem, Urbana, IL 61801 USA

[3] Warsaw Univ, Dept Chem, Warsaw, Poland

[4] Tech Univ Darmstadt, Dept Mat Sci, D-64287 Darmstadt, Germany

来源：

CHEMICAL PHYSICS LETTERS | 2007年 / 447卷 / 1-3期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/j.cplett.2007.08.068

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Synchrotron measurements of Pt and Ru core-level binding energies, BE's, in Pt-Ru nanoparticles, as a function of Pt content, quantify earlier indications that the Pt 4f BE shift is much larger than the Ru 3d BE shift. A complementary theoretical analysis relates the BE shifts to changes in the metal-metal distances as the composition of the nanoparticle changes. We establish that the large Pt and small Ru BE shifts arise from the different response of these metals to changes in the bond distances, an unexpected result. Our results give evidence that the magnitudes of the BE shifts depend on whether the d band is open, as for Ru, or essentially filled, as for Pt. (c) 2007 Elsevier B.V. All rights reserved.

引用

页码：39 / 43

页数：5

共 33 条

[1] Contracted all-electron Gaussian basis sets for atoms Rb to Xe [J].