The properties of the Pt6/BaO(100) interface and NO adsorption at the interface

被引：2
|
作者：
Yang, Zongxian [1 ,2 ]
Ma, Dongwei [1 ]
机构：
[1] Henan Normal Univ, Coll Phys & Informat Engn, Xinxiang 453007, Henan, Peoples R China
[2] Henan Key Lab Photovolta Mat, Xinxiang 453007, Peoples R China
来源：
SURFACE SCIENCE | 2009年 / 603卷 / 16期
基金：
中国国家自然科学基金;
关键词：
Density functional theory; NO; Adsorption; Pt-6/BaO(100); FT-IR; STORAGE; BAO(100); BAO; REDUCTION; MODEL; SOX; PT/BAO/AL2O3; CATALYSTS; PT/AL2O3;
D O I：
10.1016/j.susc.2009.05.017
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 properties of the Pt-6/BaO(1 0 0) interface and NO adsorption at the interface are studied using the first-principles methods based on density functional theory. It is found that strong interaction between Pt atoms and surface 0 atoms is responsible for the stability of the interface. The interaction of NO gas molecule and the Pt-6/BaO(1 0 0) interface showed that the NO molecule prefers to be bound to the Pt atom of the supported Pt cluster with its N-moiety. (C) 2009 Elsevier B.V. All rights reserved.
引用
收藏
页码：2413 / 2421
页数：9
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