A molecular orbital study of CO chemisorption on the Pd/W(110) system

被引：19

作者：

Ferullo, RM

Castellani, NJ

机构：

[1] UNIV NACL SUR,CONICET,PLANTA PILOTO INGN QUIM,RA-8000 BAHIA BLANCA,ARGENTINA

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

来源：

LANGMUIR | 1996年 / 12卷 / 01期

关键词：

D O I：

10.1021/la9406968

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The electronic influence of a W substrate on the CO chemisorptive properties of a Pd overlayer has been studied using a semiempirical molecular orbital formalism. The CO/Pd/W(110) system has been examined in relation with CO/Pd(100) and CO/W(110). Our results support previous experimental evidence of CO chemisorption inhibition in Pd/W systems. This behavior is explained in terms of the CO molecule electronic structure and is correlated with a shift of Pd valence band to greater binding energies.

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页码：70 / 77

页数：8

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