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Hybrid Density Functional Investigation of Cu Doping Impact on the Electronic Structures and Optical Characteristics of TiO(2) for Improved Visible Light Absorption

We report a theoretical investigation of the influence of Cu doping into TiO(2) 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 Ernzerhof. Our finding...

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Detalles Bibliográficos
Autores principales:	Kanoun, Mohammed Benali, Alshoaibi, Adil, Goumri-Said, Souraya
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9412576/ https://www.ncbi.nlm.nih.gov/pubmed/36013781 http://dx.doi.org/10.3390/ma15165645

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