Adsorption and diffusion of oxygen on metal surfaces studied by first-principle study:A review

被引：5
|
作者：
Hairui Xing [1 ,2 ]
Ping Hu [1 ,2 ]
Shilei Li [1 ,2 ]
Yegai Zuo [1 ]
Jiayu Han [1 ]
Xingjiang Hua [1 ]
Kuaishe Wang [1 ,2 ]
Fan Yang [1 ,2 ]
Pengfa Feng [2 ,3 ]
Tian Chang [4 ]
机构：
[1] School of Metallurgy Engineering, Xi’an University of Architecture and Technology
[2] National and Local Joint Engineering Research Center for Functional Materials Processing, Xi’an University of Architecture and Technology
[3] Jinduicheng Molybdenum Co., Ltd.
[4] Northwest Institute for Non-ferrous Metal Research
来源：
JournalofMaterialsScience&Technology | 2021年 / 62卷 / 03期
基金：
国家重点研发计划;
关键词：
D O I：
暂无
中图分类号：
TG111 [金属物理学];
学科分类号：
0702 ; 070205 ;
摘要：
First-principle calculations,especially by the density functio nal theory(DFT),is used to study the structure and properties of oxygen/metal interfaces.Adsorption of oxygen molecules or atoms on metal surfaces plays a key role in surface science and technology.This review is dedicated to the adsorption of oxygen molecules or atoms on metal surfaces and diffusion behavior from first-principle investigation.We hope that this review can provide some useful contributions to understa nd the study of adsorption properties and diffusion behavior on a metal surface at an atomic-scale,especially for those interested in catalytic oxidation and application of corrosion.
引用
收藏
页码：180 / 194
页数：15
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