Surface alloying of Pd on Cu(111)

被引：16
|
作者：
Canzian, A
Mosca, HO
Bozzolo, G
机构：
[1] NASA, Glenn Res Ctr, Cleveland, OH 44135 USA
[2] Ohio Aerosp Inst, Cleveland, OH 44142 USA
[3] UAM, Comis Nacl Energia Atom, RA-1650 San Martin, Buenos Aires, Argentina
[4] Univ Tecnol Nacl, Fac Reg Gral Pacheco, RA-1617 Gral Pacheco, Buenos Aires, Argentina
来源：
SURFACE SCIENCE | 2004年 / 551卷 / 1-2期
基金：
美国国家航空航天局;
关键词：
adatoms; computer simulations; copper; palladium; semi-empirical models and model calculations; alloys; surface structure; morphology; roughness; and topography;
D O I：
10.1016/j.susc.2003.12.044
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 modeling analysis of the growth mode of submonolayer amounts of Pd on Cu(111) for different coverages and temperatures reproduces the known experimental behavior, including the formation of a surface alloy, the presence of subsurface Pd, formation of Pd bands off terrace steps, and weak short range surface ordering. An atom-by-atom analysis of the energetics using the BFS method for alloys provides a simple explanation of the underlying mechanisms leading to the observed behavior. (C) 2004 Elsevier B.V. All rights reserved.
引用
收藏
页码：9 / 22
页数：14
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