Insights into the Electronic, Optical, and Anti-Corrosion Properties of Two-Dimensional ZnO: First-Principles Study

Insights into the Electronic, Optical, and Anti-Corrosion Properties of Two-Dimensional ZnO: First-Principles Study

The electronic, optical, and anticorrosion properties of planer ZnO crystal and quantum dots are explored using density functional theory calculations. The calculations for the finite ZnO quantum dots were performed in Gaussian 16 using the B3LYP/6-31g level of theory. The periodic calculations were...

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Bibliographic Details
Main Authors: Fatma Abd Elwahab, Nahed H. Teleb, Hazem Abdelsalam, Omar H. Abd-Elkader, Qinfang Zhang
Format: Article
Language:English
Published: MDPI AG 2024-02-01
Series:Crystals
Subjects:
two dimensional ZnO
quantum dots
periodic lattice
DFT
electronic and optical properties
anticorrosion properties
Online Access:https://www.mdpi.com/2073-4352/14/2/179

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