研究目的
Investigating the dynamical processes and irradiation effects of a low-energy carbon ion collision with graphene supported by diamond, focusing on energy transformation and structural evolution.
研究成果
The study revealed that the irradiation damage in graphene supported by diamond is closely related to the incident energy and impact position. Five types of processes were observed, with the graphene sheet's ability to maintain its structure depending on these factors. The findings provide insights into the behavior of graphene under ion irradiation, which is crucial for its application in devices exposed to such conditions.
研究不足
The simulations were performed at 0 K, which may not fully represent real-world conditions where temperature effects could influence the collision dynamics. The electronic stopping and charge state of the ion were not considered, which might affect the accuracy for higher energy collisions.
1:Experimental Design and Method Selection:
Empirical potential molecular dynamics simulations were used to study the collision processes. The AIREBO potential described interactions among graphene atoms and between graphene and the substrate, while the Tersoff-ZBL potential was used for diamond atoms and the incident carbon ion.
2:Sample Selection and Data Sources:
A graphene sheet of 288 atoms and a diamond substrate of 1344 atoms were used. The system was relaxed to equilibrium at 0 K before simulations.
3:List of Experimental Equipment and Materials:
LAMMPS molecular dynamics package was used for simulations.
4:Experimental Procedures and Operational Workflow:
The projectile was given initial kinetic energy ranging from
5:1 eV to 1 keV, moving perpendicular to the graphene sheet. Three impact positions were considered:
on a graphene atom, the center of a C-C bond, and the center of a hexagonal ring.
6:Data Analysis Methods:
The kinetic and potential energy, as well as structural evolution, were analyzed to understand the collision processes.
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