Evolutionary Algorithm-Based Crystal Structure Prediction of Cu<i><sub>x</sub></i>Zn<i><sub>y</sub></i>O<i><sub>z</sub></i> 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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Bibliographic Details
Main Authors: Mikhail S. Kuklin, Antti J. Karttunen
Format: Article
Language:English
Published: MDPI AG 2023-08-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/28/16/5986