Characterizing the ZrC(111)/<i>c</i>-ZrO<sub>2</sub>(111) Hetero-Ceramic Interface: First Principles DFT and Atomistic Thermodynamic Modeling

Characterizing the ZrC(111)/<i>c</i>-ZrO<sub>2</sub>(111) Hetero-Ceramic Interface: First Principles DFT and Atomistic Thermodynamic Modeling

The mechanical and physical properties of zirconium carbide (ZrC) are limited to its ability to deteriorate in oxidizing environments. Low refractory oxides are typically formed as layers on ZrC surfaces when exposed to the slightest concentrations of oxygen. However, this carbide has a wide range o...

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Bibliographic Details
Main Authors: Eric Osei-Agyemang, Jean-François Paul, Romain Lucas, Sylvie Foucaud, Sylvain Cristol, Anne-Sophie Mamede, Nicolas Nuns, Ahmed Addad
Format: Article
Language:English
Published: MDPI AG 2022-05-01
Series:Molecules
Subjects:
ZrC
DFT
thermodynamic
Online Access:https://www.mdpi.com/1420-3049/27/9/2954

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