Chemical regulation in the bonding reconstruction stage of amorphous Zr-Si oxidation and the resultant phase selection

Guoqin Cao; Chaoyang Chen; Hongjie Xu; Jinjin Ban; Fanfan Liu; Gaihuan Yuan; Honghong Lei; Yujie Su; Junhua Hu

Materials & Design (Sep 2023)

Chemical regulation in the bonding reconstruction stage of amorphous Zr-Si oxidation and the resultant phase selection

Guoqin Cao,
Chaoyang Chen,
Hongjie Xu,
Jinjin Ban,
Fanfan Liu,
Gaihuan Yuan,
Honghong Lei,
Yujie Su,
Junhua Hu

Affiliations

Guoqin Cao: State Centre for International Cooperation on Designer Low-carbon & Environmental Materials, School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001, China
Chaoyang Chen: State Centre for International Cooperation on Designer Low-carbon & Environmental Materials, School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001, China
Hongjie Xu: State Centre for International Cooperation on Designer Low-carbon & Environmental Materials, School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001, China; Sino-German Resources Environment and Geo-Hazards Research Center, North China University of Water Resources and Electric Power, Zhengzhou 450046, China
Jinjin Ban: State Centre for International Cooperation on Designer Low-carbon & Environmental Materials, School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001, China
Fanfan Liu: State Centre for International Cooperation on Designer Low-carbon & Environmental Materials, School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001, China
Gaihuan Yuan: State Nuclear Baoti Zirconium Industry Co., Ltd. (SNZ), Baoji 721013, China
Honghong Lei: Henan Provincial Key Laboratory for Metal Fuel Battery, Foguang Power Generation Equipment Co. Ltd, 50 Holly Street, Zhengzhou 450000, China
Yujie Su: Sino-German Resources Environment and Geo-Hazards Research Center, North China University of Water Resources and Electric Power, Zhengzhou 450046, China
Junhua Hu: State Centre for International Cooperation on Designer Low-carbon & Environmental Materials, School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001, China; Corresponding author.

Journal volume & issue: Vol. 233
p. 112291

Abstract

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A mechanism based on oxidation induced bonding reconstruction (OBR) was proposed to optimize phase selection during oxidation of amorphous ZrxSi1−x (0.55 ≤ x ≤ 0.75). According to VASP modeling, a self-barrier effect was proposed to regulate the OBR and Zr/Si separation at initial oxidation stage. The depressed Si inner-diffusion leads to the formation of amorphous bilayer structure. A Si-rich Zr-Si layer formed underneath the outer Zr-Si-O amorphous layer, which synergistically impeded oxygen permeation at subcritical environment. As confirmed by EELS and XPS, the alternative of Zr-O and Si-O bonds in Zr-Si-O layer contributed to the enhanced hydro chemical stability.

Published in Materials & Design

ISSN: 0264-1275 (Print); 1873-4197 (Online)
Publisher: Elsevier
Country of publisher: United Kingdom
LCC subjects: Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
Website: https://www.journals.elsevier.com/materials-and-design

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