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

被引：0
|
作者：
Xing, Hairui [1 ,2 ]
Hu, Ping [1 ,2 ]
Li, Shilei [1 ,2 ]
Zuo, Yegai [1 ]
Han, Jiayu [1 ]
Hua, Xingjiang [1 ]
Wang, Kuaishe [1 ,2 ]
Yang, Fan [1 ,2 ]
Feng, Pengfa [2 ,3 ]
Chang, Tian [4 ]
机构：
[1] School of Metallurgy Engineering, Xi'an University of Architecture and Technology, Xi'an,710055, China
[2] National and Local Joint Engineering Research Center for Functional Materials Processing, Xi'an University of Architecture and Technology, Xi'an,710055, China
[3] Jinduicheng Molybdenum Co., Ltd., Xi'an,710077, China
[4] Northwest Institute for Non-ferrous Metal Research, Xi'an,710016, China
来源：
Journal of Materials Science and Technology | 2021年 / 62卷
关键词：
Oxygen - Catalytic oxidation - Metals - Atoms - Molecules - Corrosion - Diffusion - Gas adsorption;
D O I：
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中图分类号：
学科分类号：
摘要：
First-principle calculations, especially by the density functional 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 understand 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. © 2020
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页码：180 / 194
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