Abstract
The interaction mechanisms of dopamine (DA) on pristine graphene (G), Stone-Wales defective graphene (DG), graphene oxide (GO), and Fe-doped graphene (Fe-G) surfaces have been investigated via simulation. It has been found that the adsorption configurations of DA molecules on graphene-based materials greatly affect the interaction energies between the DA molecules and graphene surfaces. The interactions between a DA molecule and G or DG surface were predominantly regarded as a physical adsorption process, wherein a DA molecule was chemisorbed on the GO surface with -OH in the DA molecule pointing towards the GO surface. It was also demonstrated that DA could be chemisorbed on the Fe-G surface. The study forms a guideline for designing graphene-based materials with specific structure or chemical groups to satisfy the demands for DA related applications.
Original language | English |
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Pages (from-to) | 1156-1164 |
Number of pages | 9 |
Journal | Materials Chemistry Frontiers |
Volume | 1 |
Issue number | 6 |
Early online date | 2017 |
DOIs | |
Publication status | Published - Jun 2017 |