Molecular Dynamics Approach to the Physical Mixture of In<sub>2</sub>O<sub>3</sub> and ZrO<sub>2</sub>: Defect Formation and Ionic Diffusion

Molecular Dynamics Approach to the Physical Mixture of In<sub>2</sub>O<sub>3</sub> and ZrO<sub>2</sub>: Defect Formation and Ionic Diffusion

Recent research on the use of physical mixtures In<sub>2</sub>O<sub>3</sub>-ZrO<sub>2</sub> has raised interesting questions as to how their combination enhances catalytic activity and selectivity. Specifically, the relationship between oxygen diffusion and defect...

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Bibliographic Details
Main Authors: Lorenzo E. Fornasari, Bruna J. da S. Bronsato, Lucia G. Appel, Roberto R. de Avillez
Format: Article
Language:English
Published: MDPI AG 2023-01-01
Series:International Journal of Molecular Sciences
Subjects:
In<sub>2</sub>O<sub>3</sub>
ZrO<sub>2</sub>
molecular dynamics
oxygen diffusion
epitaxy
Online Access:https://www.mdpi.com/1422-0067/24/3/2426

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