First Principles Study of Electronic and Optical Properties of Al‐P Co‐Doped ZnO in the Presence of Zn Vacancies

First Principles Study of Electronic and Optical Properties of Al‐P Co‐Doped ZnO in the Presence of Zn Vacancies

Abstract The BP neural network optimized by the Adam algorithm was used to predict the defect formation energy of Al−P co‐doped ZnO systems with different concentrations of P replacing O under the presence of different concentrations of VZn. It was found that the easily formed AlZnPo‐1VZn, AlZnPO‐2V...

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Bibliographic Details
Main Authors: Zhengguang Guo, Yonghong Yao, Jin Liu
Format: Article
Language:English
Published: Wiley-VCH 2024-12-01
Series:ChemistryOpen
Subjects:
Adam
(Al−P)-ZnO
First-principles
Optoelectronic properties
Online Access:https://doi.org/10.1002/open.202400222
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