Theoretical study of the adsorption characteristics and the environmental influence of ornidazole on the surface of photocatalyst TiO(2)

In this paper, density functional theory (DFT) was performed to study the adsorption properties of ornidazole on anatase TiO(2)(101) and (001) crystal facets under vacuum, neutral and acid-base conditions. We calculated the adsorption structure of ornidaozle on the anatase TiO(2) surface, optimal ad...

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Detalles Bibliográficos
Autores principales: Tan, Ruolan, Lv, Zhongjian, Tang, Jing, Wang, Yiwei, Guo, Jianmin, Li, Laicai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659643/
https://www.ncbi.nlm.nih.gov/pubmed/31350434
http://dx.doi.org/10.1038/s41598-019-47379-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659643/
https://www.ncbi.nlm.nih.gov/pubmed/31350434
http://dx.doi.org/10.1038/s41598-019-47379-y

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