Abstract
Graphullerene (GF), an extended quasi-two-dimensional network of C60 molecules, is proposed as a multicontact platform for constructing superlubric interfaces with layered materials. Such interfaces are predicted to present very small and comparable sliding energy corrugation regardless of the identity of the underlying flat layered material surface. It is shown that, beyond the geometrical effect, covalent interlinking between the C60 molecules results in reduction of the sliding energy barrier. For extended GF supercells, negligible sliding energy barriers are found along all sliding directions considered, even when compared to the case of the robust superlubric graphene/h-BN heterojunction. This suggests that multicontact architectures can be used to design ultrasuperlubric interfaces, where superlubricity may persist under extreme sliding conditions.
| Original language | English |
|---|---|
| Pages (from-to) | 10599-10604 |
| Number of pages | 6 |
| Journal | Nano Letters |
| Volume | 24 |
| Issue number | 34 |
| DOIs | |
| State | Published - 28 Aug 2024 |
Keywords
- density functional theory calculations
- graphullerene
- interlayer potentials
- multicontact
- registry index
- sliding energy corrugation
- structural superlubricity
All Science Journal Classification (ASJC) codes
- Bioengineering
- General Chemistry
- General Materials Science
- Condensed Matter Physics
- Mechanical Engineering
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