Hydrogen molecule dissociation on Pt/Ni(111) systems

被引：19

作者：

Castellani, NJ

Legare, P

Demangeat, C

Pick, S

机构：

[1] UNIV STRASBOURG 1,LERCSI,F-67070 STRASBOURG,FRANCE

[2] UNIV NACL SUR,DEPT FIS,RA-8000 BAHIA BLANCA,ARGENTINA

[3] PLAPIQUI,UNS,CONICET,BAHIA BLANCA,ARGENTINA

[4] CNRS,CTR CRONENBOURG,GEMME,IPCMS,F-67037 STRASBOURG,FRANCE

[5] J HEYROVSKY INST PHYS CHEM & ELECTROCHEM,CR-18223 PRAGUE 8,CZECH REPUBLIC

来源：

SURFACE SCIENCE | 1996年 / 352卷

关键词：

chemisorption; hydrogen; low index single crystal surfaces; nickel; platinum; semi-empirical models and model calculations; surface chemical reaction;

D O I：

10.1016/0039-6028(95)01122-6

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：

In the present work we consider with a molecular orbital model the H-2 dissociation mechanism on a Pt layer grown on Ni(111), and comparatively, on the pure metal components, The metallic substrate was represented by a four layers cluster, In the bimetallic case, the overall adiabatic energy profile is less stable in comparison with Pt(111), All these results are in good agreement with experimental evidence and can be explained using electronic structure arguments.

引用

页码：148 / 154

页数：7

共 12 条

[1] LOW-ENERGY ELECTRON-DIFFRACTION OBSERVATIONS OF THE THERMAL EVOLUTION OF 0.5-3.0 ML PT/NI(111) [J].