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Stacks of graphene with silicane or germanane: a first-principles study
Eleftheria Gkogkosi1, Apostolos Atsalakis1, Leonidas Tsetseris1
1Department of Physics, National Technical University of Athens, GR-15780 Athens, Greece.
Summary
We found that hybrid graphene-silicane and graphene-germanane layered systems are stable and feasible to create. These materials combine graphene
Area of Science:
- Materials Science
- Condensed Matter Physics
- Computational Chemistry
Background:
- Graphene is a zero-gap semiconductor with unique electronic properties.
- Silicane and germanane are 2D materials with wide band gaps.
- Hybrid layered systems offer potential for novel electronic applications.
Purpose of the Study:
- To investigate the stability and properties of hybrid graphene-silicane and graphene-germanane layered systems.
- To determine the feasibility of creating these hybrid stacks.
- To assess the potential applications of these materials in electronic devices.
Main Methods:
- Density-functional theory (DFT) calculations were employed.
- Interlayer binding energies were calculated.
- System stability against defect formation was analyzed.
Main Results:
- Interlayer binding energies are comparable to graphite, indicating feasible stack creation.
- Hybrid systems demonstrate stability against hydrogen atom transfer defects.
- Graphene retains its electronic properties in graphene-germanane stacks near the Fermi level.
Conclusions:
- Hybrid graphene-silicane and graphene-germanane stacks are stable and constructible.
- These materials can integrate zero-gap graphene with wide band-gap 2D semiconductors.
- Potential applications exist for advanced graphene-based electronic devices.
