A DFT study of defects in paramagnetic Cr 2 O 3

Cr O is not only a promising functional material, but also an essential barrier to protect chromia-forming alloys against high temperature corrosion. The Cr O protecting layer grows slowly defect-mediated diffusion. Several types of point defects could be responsible for the diffusion process depend...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2022-05, Vol.24 (17), p.10488-10498
Hauptverfasser:	Huang, Xian, Fossati, Paul C M, Martinelli, Laure, Bosonnet, Sophie, Latu-Romain, Laurence, Wouters, Yves
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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