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Anomalous versus Normal Room-Temperature Diffusion of Metal Adatoms on Graphene
Victor Gervilla1, Mohammad Zarshenas1, Davide G Sangiovanni2
1Nanoscale Engineering Division, Department of Physics, Chemistry and Biology, Linköping University, SE 581 83, Linköping, Sweden.
The Journal of Physical Chemistry Letters
|September 28, 2020
Summary
Metal adatom diffusion on 2D materials like graphene can be anomalous. Some metals exhibit Lévy walks due to flat potential energy landscapes, impacting film growth models.
Area of Science:
- Materials Science
- Surface Science
- Condensed Matter Physics
Background:
- High-performance heterostructure devices rely on understanding metal diffusion on 2D materials.
- Controlling metal adatom behavior is crucial for fabricating advanced electronic and photonic devices.
Purpose of the Study:
- To investigate the room-temperature diffusion dynamics of various metal adatoms (Ag, Au, Cu, Pd, Pt, Ru) on graphene.
- To elucidate the relationship between potential energy landscapes and adatom diffusion mechanisms.
Main Methods:
- Utilized ab initio and classical molecular dynamics simulations.
- Analyzed diffusion trajectories and characterized the potential energy landscape (PEL) for different metal adatoms.
Main Results:
- Ag, Au, Cu, and Pd adatoms exhibited anomalous diffusion, following Lévy walks characterized by short movements and occasional long flights.
- This Lévy walk behavior correlated with a flat PEL (<50 meV), where surface vibrations significantly influence migration.
- Pt and Ru adatoms showed conventional random walk diffusion due to a rougher PEL (>100 meV).
Conclusions:
- Anomalous diffusion, specifically Lévy walks, is a key phenomenon for certain metal adatoms on graphene.
- The nature of the potential energy landscape dictates whether adatoms exhibit normal or anomalous diffusion.
- Understanding adatom anomalous diffusion is essential for accurate modeling of metal film and nanostructure growth on 2D materials.

