A Detailed Comparative Analysis of the Structural Stability and Electron-Phonon Properties of ZrO(2): Mechanisms of Water Adsorption on t-ZrO(2) (101) and t-YSZ (101) Surfaces

In this study, we considered the structural stability, electronic properties, and phonon dispersion of the cubic (c-ZrO(2)), tetragonal (t-ZrO(2)), and monoclinic (m-ZrO(2)) phases of ZrO(2). We found that the monoclinic phase of zirconium dioxide is the most stable among the three phases in terms o...

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Detalles Bibliográficos
Autores principales: Nematov, Dilshod D., Burhonzoda, Amondulloi S., Kholmurodov, Kholmirzo T., Lyubchyk, Andriy I., Lyubchyk, Sergiy I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10574635/
https://www.ncbi.nlm.nih.gov/pubmed/37836297
http://dx.doi.org/10.3390/nano13192657

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