The interaction of acrolein with pristine and N-doped TiO2 anatase nanoparticles: A DFT study
Density functional theory calculations were carried out in order to study the effects of the adsorption of acrolein molecule on the structural and electronic properties of TiO2 anatase nanoparticles. The ability of pristine and N-doped TiO2 anatase nanoparticles to recognize toxic acrolein (C3H4O) m...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Slovenian Chemical Society
2016-11-01
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| Series: | Acta Chimica Slovenica |
| Subjects: | |
| Online Access: | https://journals.matheo.si/index.php/ACSi/article/view/2350 |