The process of dissociation of Cl2 molecule on the Ge(001)-p(1 x 2) surface

被引：1
|
作者：
Stankiewicz, B. [1 ]
Mikolajczyk, P. [2 ]
机构：
[1] Univ Wroclaw, Inst Expt Phys, PL-50204 Wroclaw, Poland
[2] Nokia, PL-50265 Wroclaw, Poland
来源：
APPLIED SURFACE SCIENCE | 2015年 / 335卷
关键词：
Germanium; Chlorine; Adsorption; Dissociation; Surface relaxation and reconstruction; Density functional calculations; ADSORPTION; CHLORINE; PSEUDOPOTENTIALS; 1ST-PRINCIPLES; CHEMISORPTION; ATOMS;
D O I：
10.1016/j.apsusc.2015.02.055
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 this paper, we analyze theoretically four possible reaction paths during dissociative adsorption of chlorine molecule at the germanium surface. We have calculated the temporary atomic structures, local density of states and spatial distributions of charge density during the processes of dissociation and adsorption. Depending on the reaction path the properties of the system in the process can differ significantly from the final state. (C) 2015 Elsevier B.V. All rights reserved.
引用
收藏
页码：198 / 207
页数：10
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