Theoretical study on degradation mechanism of ornidazole on anatase TiO2(101) and (001) surfaces

Ornidazole (ONZ) is an emerging pollutant posing a huge threat to the environment and humans. In this paper, the degradation mechanism of ONZ on anatase TiO2(101) and (001) surfaces in vacuum and neutral aqueous solution was elucidated at the DFT level. We found that ONZ was activated and oxidized a...

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Veröffentlicht in:	New journal of chemistry 2020-02, Vol.44 (7), p.2733-2740
Hauptverfasser:	Wang, Danyang, Qin, Haichuan, Qin, Qiaoqiao, Xiang-Yang, Liu, Li, Laicai
Format:	Artikel
Sprache:	eng
Schlagworte:	Anatase Aqueous solutions Degradation Pollutants Titanium dioxide
Online-Zugang:	Volltext
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