Towards quantum corrosion chemistry: screening perfect Cr, Ni sites and stoichiometry on top of an Fe(110) surface using DFT-Reference-Cited by-同舟云学术

Towards quantum corrosion chemistry: screening perfect Cr, Ni sites and stoichiometry on top of an Fe(110) surface using DFT

Published:2023 Issue:15 Volume:13 Page:9945-9953
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Yang Zhihao¹,Zhang Chi²,Wang Shuo¹,Xue Chengpeng¹,Tian Guangyuan¹,Su Hui¹,Yan Chengming¹,Yan Zhifei³,Liu Xiaoguang⁴,Wang Junsheng¹⁵^ORCID

Affiliation:

1. School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China

2. School of Materials Science and Engineering, Shenyang University of Technology, Shenyang 110870, China

3. China North Industries Group, No. 52 Research Institute, Baotou, Inner Mongolia, 014030, China

4. School of Materials Science and Engineering, University of Science & Technology Beijing, No. 30 Xueyuan Road, Beijing, 100083, China

5. Advanced Research Institute of Multidisciplinary Science, Beijing Institute of Technology, Beijing 100081, China

Abstract

Doping sites of Cr and Ni atoms on top of BCC Fe have been identified to be Fe12Cr3Ni1, Fe11Cr4Ni1, Fe11Cr3Ni2, Fe10Cr4Ni2, Fe10Cr3Ni3 and Fe11Cr4Ni2 is the perfect chemistry on top of the Fe(110) surface due to its high ability of preventing atomic dissolution.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/RA/D2RA07463J

Reference50 articles.

1. Iron-Based Supercapacitor Electrodes: Advances and Challenges

2. Oxidation mechanism of a Fe–9Cr–1Mo steel by liquid Pb–Bi eutectic alloy (Part I)

3. Influence of nickel additions on the corrosion behaviour of low nitrogen 22% Cr series duplex stainless steels

4. T.Duong , Y.Wang , X.Yan , A.Couet and S.Chaudhuri , arXiv , preprint, arXiv:2104.10590, 2021

5. Ferritic stainless steels in structural applications

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