What question did this study set out to answer?

The aim is to understand the mechanisms behind chromium-induced oxide phases in nickel oxide matrices at high temperatures.

January 23, 2026Physical Chemistry Chemical Physics0 citationsOpen Access

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First-principles insights into chromium-induced oxide phases in NiO

XPXiao Peng JCJianmin Chen XYXin Yan

Key Points

The aim is to understand the mechanisms behind chromium-induced oxide phases in nickel oxide matrices at high temperatures.
Analyzed oxidation processes in nickel-chromium alloys
Studied oxide phases using first-principles calculations
Characterized structural properties of oxide scales
Identified complex oxide scales comprising multiple phases
Found Ni(Cr)O solid solutions within the NiO matrix
Characterized the presence of NiCr2O4 spinel and Cr2O3 corundum

Abstract

The high-temperature oxidation of Ni-Cr alloys leads to complex oxide scales comprising Ni(Cr)O solid solutions, NiCr2O4 spinel, and Cr2O3 corundum within the NiO matrix. Understanding the atomic-scale mechanisms of Cr...

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First-principles insights into chromium-induced oxide phases in NiO

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