Effects of the metal in the adsorption of NO2 on platinum supported BaO films

被引：15

作者：

Broqvist, Peter

Groenbeck, Henrik ^{[1
]}

机构：

[1] Chalmers, Dept Appl Phys, SE-41296 Gothenburg, Sweden

[2] Chalmers, Competence Ctr Catalysis, SE-41296 Gothenburg, Sweden

来源：

SURFACE SCIENCE | 2006年 / 600卷 / 16期

关键词：

density functional calculations; adhesion; chemisorption; catalysis; alkaline earth metals; platinum; nitrogen oxides; metal-insulator interfaces;

D O I：

10.1016/j.susc.2006.05.061

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：

Density functional calculations are reported for NO2 adsorption on BaO(100) films supported on Pt. The metal is predicted to largely stabilize NO2 adsorption. The phenomenon is most pronounced for a two layer BaO film, but clearly present for films as thick as five oxide layers. From the different contributions to the adsorption energy, the stabilization is found to originate from an increased oxide-metal bonding. The results stress the complex nature of molecular-surface interactions in multi-component systems, and have implications for the understanding of surface processes in heterogeneous catalysis. (c) 2006 Elsevier B.V. All rights reserved.

引用

页码：L214 / L218

页数：5

共 31 条

[1] THE MOLECULAR ADSORPTION OF NITROGEN-DIOXIDE ON PT(111) STUDIED BY TEMPERATURE PROGRAMMED DESORPTION AND VIBRATIONAL SPECTROSCOPY [J].