Adsorption characteristics and degradation mechanism of metronidazole on the surface of photocatalyst TiO2: A theoretical study

2019 ◽  
Vol 478 ◽  
pp. 896-905 ◽  
Author(s):  
Danyang Wang ◽  
Hui Luo ◽  
Liuxie Liu ◽  
Wei Wei ◽  
Laicai Li
Keyword(s):  
Theoretical Study ◽  
Degradation Mechanism ◽  
Adsorption Characteristics

Theoretical study on adsorption characteristics and environmental effects of dimetridazole on TiO2 surface

2019 ◽  
Vol 1150 ◽  
pp. 10-17 ◽  
Author(s):  
Hai-Chuan Qin ◽  
Qiao-Qiao Qin ◽  
Hui Luo ◽  
Wei Wei ◽  
Liu-Xie Liu ◽  
...  
Keyword(s):  
Environmental Effects ◽  
Theoretical Study ◽  
Tio2 Surface ◽  
Adsorption Characteristics

scholarly journals The adsorption characteristics and degradation mechanism of tinidazole on an anatase TiO2 surface: a DFT study

RSC Advances ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 2104-2112
Author(s):  
Qiaoqiao Qin ◽  
Haichuan Qin ◽  
Kai Li ◽  
Ruolan Tan ◽  
Xiangyang Liu ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Density Functional Theory ◽  
Density Functional ◽  
Degradation Mechanism ◽  
Anatase Tio2 ◽  
Dft Study ◽  
Tio2 Surface ◽  
Functional Theory ◽  
Adsorption Characteristics

The adsorption characteristics and degradation mechanism of tinidazole on TiO2(101) and (001) surfaces under vacuum and aqueous solution conditions were studied by density functional theory (DFT).

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