DFT Investigation of Substitutional and Interstitial Nitrogen-Doping Effects on a ZnO(100)–TiO(2)(101) Heterojunction

[Image: see text] Density Functional Theory (DFT) calculations have been performed to investigate the structural and electronic properties of the ZnO(wurtzite)–ATiO(2)(anatase) heterojunction in the absence and presence of substitutional, interstitial nitrogen (N) doping and oxygen vacancies (O(V))....

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Detalles Bibliográficos
Autores principales: Ritacco, Ida, Sacco, Olga, Caporaso, Lucia, Camellone, Matteo Farnesi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9946291/
https://www.ncbi.nlm.nih.gov/pubmed/36844196
http://dx.doi.org/10.1021/acs.jpcc.1c09395

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9946291/
https://www.ncbi.nlm.nih.gov/pubmed/36844196
http://dx.doi.org/10.1021/acs.jpcc.1c09395

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