Anomalous versus Normal Room-Temperature Diffusion of Metal Adatoms on Graphene

Autor: Víctor Gervilla, Kostas Sarakinos, Mohammad Zarshenas, Davide Sangiovanni
Jazyk: angličtina
Rok vydání: 2020
Předmět:
Zdroj: The Journal of Physical Chemistry Letters
ISSN: 1948-7185
Popis: Fabrication of high-performance heterostructure devices requires fundamental understanding of the diffusion dynamics of metal species on 2D materials. Here, we investigate the room-temperature diffusion of Ag, Au, Cu, Pd, Pt, and Ru adatoms on graphene using ab initio and classical molecular dynamics simulations. We find that Ag, Au, Cu, and Pd follow Lévy walks, in which adatoms move continuously within ∼1–4 nm2 domains during ∼0.04 ns timeframes, and they occasionally perform ∼2–4 nm flights across multiple surface adsorption sites. This anomalous diffusion pattern is associated with a flat (100 meV) and, hence, migrate via conventional random walks. Thus, adatom anomalous diffusion is a potentially important aspect for modeling growth of metal films and nanostructures on 2D materials. Funding agencies: Swedish research council (contract VR-2015-04630), ÅForsk foundation (contract ÅF 19-137), Olle Engkvist foundation (contract SOEB 190-312), Swedish Research Council through Grant Agreement No. VR-2015-04630
Databáze: OpenAIRE