First principles study of dissolved oxygen water adsorption on Fe (001) surfaces

First principles study of dissolved oxygen water adsorption on Fe (001) surfaces

In order to study the mechanism of dissolved oxygen content on the surface corrosion behavior of Fe-based heat transfer, the first principle is used to study the adsorption of O2 monomolecular, H2O monolayer and dissolved oxygen system on Fe-based heat transfer surface. The GGA/PBE approximation is...

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Bibliographic Details
Main Authors:	Dong ZHANG, Yanhai CHENG, Shizhe FENG, Jia LIAN, Heng BAI
Format:	Article
Language:	zho
Published:	Hebei University of Science and Technology 2018-02-01
Series:	Journal of Hebei University of Science and Technology
Subjects:	mass and heat transfer in engineering first principles dissolved oxygen water molecular adsorption adsorption energy
Online Access:	http://xuebao.hebust.edu.cn/hbkjdx/ch/reader/create_pdf.aspx?file_no=b201801004&flag=1&journal_

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