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Fabrication of Three-Dimensional Graphene-Based Polyhedrons via Origami-Like Self-Folding
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Defect-Dependent Corrugation in Graphene
Fabian L Thiemann1,2,3,4, Patrick Rowe1,2,3, Andrea Zen2,5,6
1Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom.
Nano Letters
|September 14, 2021
Summary
Defects in graphene cause significant surface wrinkling, altering its properties. The extent of this structural change depends on defect type and concentration, impacting graphene
Area of Science:
- Materials Science
- Condensed Matter Physics
- Nanotechnology
Background:
- Graphene's intrinsic topology, characterized by corrugation and wrinkling, dictates its electronic, mechanical, and chemical properties.
- Experimental methods enable manipulation of pristine graphene and controlled defect creation to tune atomic out-of-plane fluctuations.
Purpose of the Study:
- To investigate the impact of defects on graphene's structure using large-scale simulations.
- To understand how defect concentration and type influence graphene's morphology.
Main Methods:
- Large-scale machine learning-driven molecular dynamics simulations.
- Analysis of atomic neighborhood and defect interactions.
Main Results:
- Defects induce significantly higher corrugation, resulting in a strongly wrinkled graphene surface.
- The degree of structural transformation is dependent on defect concentration and type.
- Local atomic environments and defect interactions dictate the extent of morphological changes.
Conclusions:
- Defects profoundly affect graphene's morphology, leading to increased surface wrinkling.
- Distinct defect types exhibit unique influences on graphene structure, linking global morphology to local environments.
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