Abstract
The graphene-based nano-mechanical systems have attracted a lot of attention due to their unique properties. Owing to its planar shape, it is hard to control the direction of motion of graphene. In this study, a directional system based on graphene with a channel driven by a thermal gradient was examined by means of molecular dynamics simulations. The results showed that the channel could direct the motion and correct the rotation of graphene nanoflakes. The movement of graphene nanoflake not only depended on the interaction between the nanoflake and the substrate, but also the configuration of the graphene in the channel. A larger thermal gradient was needed to drive a hydrogen-passivated graphene nanoflake. However, the movement of a passivated nanoflake was more stable. Our results showed that a passivated graphene nanoflake could move steadily along a direction in a channel, which might shed light on the design of nano-mechanical systems based on graphene.
Original language | English |
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Article number | 1830 |
Journal | Crystals |
Volume | 12 |
Issue number | 12 |
DOIs | |
State | Published - Dec 2022 |
Bibliographical note
Publisher Copyright:© 2022 by the authors.
Keywords
- channel
- graphene
- molecular dynamics
- motion
- thermal gradient
ASJC Scopus subject areas
- General Chemical Engineering
- General Materials Science
- Condensed Matter Physics
- Inorganic Chemistry