A new approach for atomistic modeling of Pd/Cu(110) surface alloy formation

被引：11

作者：

Garces, JE

Bozzolo, GH

Abel, P

Mosca, HO

机构：

[1] NASA, Glenn Res Ctr, Cleveland, OH 44135 USA

[2] Comis Nacl Energia Atom, Ctr Atom Bariloche, RA-8400 San Carlos De Bariloche, Rio Negro, Argentina

[3] Ohio Aerosp Inst, Cleveland, OH 44142 USA

[4] Comis Nacl Energia Atom, RA-1429 Buenos Aires, DF, Argentina

[5] Univ Buenos Aires, Fac Ciencias Exactas & Nat, Dept Fis, RA-1428 Buenos Aires, DF, Argentina

来源：

APPLIED SURFACE SCIENCE | 2000年 / 167卷 / 1-2期

基金：

美国国家航空航天局;

关键词：

surface alloys; atomistic simulations; BFS method; Pd/Cu alloys;

D O I：

10.1016/S0169-4332(00)00380-9

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：

The formation process of Pd/Cu(110) surface alloys is investigated using the Bozzolo-Ferrante-Smith (BFS) method for alloys. A straightforward modeling approach is introduced, ranging from the deposition of one single-Pd atom to the formation of Pd/Cu surface alloy, which helps explain all the experimentally observed features during the surface alloy formation for low coverages. In excellent agreement with all the known experimental observations, the approach sheds light on the exchange mechanism between adatoms and substrate atoms, the formation of Pd-Cu chains and the formation of Cu islands. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：18 / 33

页数：16

共 27 条

[1] OSCILLATORY RELAXATION OF THE CU(110) SURFACE [J].