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

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

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. T...

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Bibliographic Details
Main Authors: Guoqin Cao, Chaoyang Chen, Hongjie Xu, Jinjin Ban, Fanfan Liu, Gaihuan Yuan, Honghong Lei, Yujie Su, Junhua Hu
Format: Article
Language:English
Published: Elsevier 2023-09-01
Series:Materials & Design
Subjects:
Oxidation
Diffusion
EELS
Bonding reconstruction
Stability
Online Access:http://www.sciencedirect.com/science/article/pii/S0264127523007062

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http://www.sciencedirect.com/science/article/pii/S0264127523007062

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