Evolutionary Algorithm-Based Crystal Structure Prediction of Cu(x)Zn(y)O(z) Ternary Oxides

Binary zinc(II) oxide (ZnO) and copper(II) oxide (CuO) are used in a number of applications, including optoelectronic and semiconductor applications. However, no crystal structures have been reported for ternary Cu-Zn-O oxides. In that context, we investigated the structural characteristics and ther...

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Detalles Bibliográficos
Autores principales: Kuklin, Mikhail S., Karttunen, Antti J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10459973/
https://www.ncbi.nlm.nih.gov/pubmed/37630237
http://dx.doi.org/10.3390/molecules28165986

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10459973/
https://www.ncbi.nlm.nih.gov/pubmed/37630237
http://dx.doi.org/10.3390/molecules28165986

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