Effects of oxygen adsorption on the corrosion behavior of the Ti(0001) surface: a DFT investigation

Author:

Wang Xiaoting1,Xie Dong1ORCID,Liu Huaiyuan2,Li Yantao3,Jing Fengjuan4,Leng Yongxiang4

Affiliation:

1. Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031, China

2. School of Materials Science and Engineering, Southwest Jiaotong University, Chengdu 610031, China

3. School of Mechanical and Electrical Engineering, Mianyang Teachers’ College, Mianyang, 621000, China

4. Sichuan Province International Science and Technology Cooperation Base of Functional Materials, College of Medicine, Southwest Jiaotong University, Chengdu 610031, China

Abstract

The interaction between O and α-Ti was studied by analyzing the adsorption energy, electronic structure and thermodynamic stability. The effect of adsorbed O on the Ti corrosion was explained from the perspective of electrochemical potential.

Funder

Natural Science Foundation of Sichuan Province

Sichuan Province Science and Technology Support Program

Publisher

Royal Society of Chemistry (RSC)

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