Hybrid Density Functional Investigation of Cu Doping Impact on the Electronic Structures and Optical Characteristics of TiO<sub>2</sub> for Improved Visible Light Absorption

Hybrid Density Functional Investigation of Cu Doping Impact on the Electronic Structures and Optical Characteristics of TiO<sub>2</sub> for Improved Visible Light Absorption

We report a theoretical investigation of the influence of Cu doping into TiO<sub>2</sub> with various concentrations on crystal structure, stability, electronic structures and optical absorption coefficient using density functional theory via the hybrid formalism based on Heyd Scuseria E...

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Bibliographic Details
Main Authors: Mohammed Benali Kanoun, Adil Alshoaibi, Souraya Goumri-Said
Format: Article
Language:English
Published: MDPI AG 2022-08-01
Series:Materials
Subjects:
electronic structure
optical absorption
visible light responsive photocatalyst
Cu doping
hybrid functional density functional theory
Online Access:https://www.mdpi.com/1996-1944/15/16/5645

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https://www.mdpi.com/1996-1944/15/16/5645

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