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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))....
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| 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 |