Van der Waals corrected DFT study on the adsorption behaviors of TiO2 anatase nanoparticles as potential molecule sensor for thiophene detection
Density functional theory investigations were conducted in order to study the effects of the adsorption of thiophene on the structural and electronic properties of TiO2 anatase nanoparticles. The ability of pristine and N-doped TiO2 anatase nanoparticles to recognize toxic thiophene was surveyed in...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Iranian Environmental Mutagen Society
2017-01-01
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| Series: | Journal of Water and Environmental Nanotechnology |
| Subjects: | |
| Online Access: | http://www.jwent.net/article_24252_e47e747ebcb52243b5876a001857c66b.pdf |