| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 701759 | Diamond and Related Materials | 2016 | 5 Pages |
•Perfect, defective and porous graphene sheets are considered.•Caffeine and nicotine are chemisorbed on graphene sheets.•Perfect, defective and porous graphene sheets become n-type semiconductors with caffeine and nicotine adsorption.
Adsorption of caffeine and nicotine molecules on perfect, defective and porous graphene sheets is investigated using density functional theory. The high adsorption energies indicate strong adsorption of caffeine and nicotine molecules on graphene sheets. It was found that caffeine adsorption is stronger in comparison to nicotine adsorption. The electronic band structures analysis shows that the electronic properties of graphene sheets are sensitive to the presence of caffeine and nicotine molecules. The graphene sheets become n-type semiconductors with caffeine and nicotine adsorption. Our results suggest the possibility of using graphene based sensors for caffeine and nicotine detection.
Graphical abstractAdsorption of caffeine and nicotine on perfect, defective and porous graphene sheets has been studied using density functional theory. The results indicate these carbon based nanostructures are proper for caffeine and nicotine detection.Figure optionsDownload full-size imageDownload as PowerPoint slide
