Abstract
Given the technological significance of graphene, various aspects of graphene have been recently explored. Here, we demonstrate the self-assembly of graphene fragments in water using molecular dynamics simulation. We observe that graphene fragments dispersed in water are assembled into a single aggregate. The assembly process is investigated by using the potential of mean force analysis and the significance of the enthalpic and entropic contributions is described. Other fundamental quantities such as hydrogen bonding and excluded volume are also examined. We anticipate that the fundamental finding in this paper can be extended to design the assembly process of complex carbon-based structures.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 1616-1620 |
| Number of pages | 5 |
| Journal | Surface Science |
| Volume | 605 |
| Issue number | 17-18 |
| DOIs | |
| State | Published - Sep 2011 |
Keywords
- Graphene
- Hydrogen bond
- Molecular dynamics simulation
- Potential of mean force
- Self-assembly
- Water
ASJC Scopus subject areas
- Surfaces and Interfaces
- Condensed Matter Physics
- Materials Chemistry
- Surfaces, Coatings and Films
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