SMALL PT AGGREGATES ADSORBED ON NI(111) - A THEORETICAL-STUDY

被引：15
|
作者：
CASTELLANI, NJ
LEGARE, P
机构：
[1] UNIV STRASBOURG 1,LERCSI,F-67070 STRASBOURG,FRANCE
[2] UNIV NACL SUR,CONICET,PLAPIQUI,RA-8000 BAHIA BLANCA,ARGENTINA
来源：
JOURNAL OF PHYSICAL CHEMISTRY | 1994年 / 98卷 / 38期
关键词：
D O I：
10.1021/j100089a040
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：
A theoretical study for small Pt-p aggregates (p = 1-4) adsorbed on Ni(111) has been performed by following a model previously implemented for Ni/Ni(111) and Pt/Pt(111). Pt on Ni shows a relatively strong interaction with an adsorption energy close to the value for Pt on Pt. Our results suggest a very distorted overlayer for small Pt coverages favoring linear chains and predicting important relaxations particularly for planar configurations. We give also some insight concerning the changes of the local electronic structure.
引用
收藏
页码：9606 / 9613
页数：8
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