Domain Growth in Polycrystalline Graphene

Area of Science:

• Materials Science
• Condensed Matter Physics
• Computational Chemistry

Background:

• Graphene's unique properties make it ideal for numerous applications.
• Defects in polycrystalline graphene significantly impact its performance.
• Understanding crystalline domain coarsening is crucial for optimizing graphene.

Purpose of the Study:

• To simulate the crystalline domain coarsening process in polycrystalline graphene.
• To analyze defect behavior and domain growth dynamics.
• To investigate the influence of buckling and substrate effects on graphene crystallization.

Main Methods:

• Utilized a Monte Carlo approach with the optimized Wooten, Winer and Weaire (WWW) algorithm.
• Performed statistical analyses on bond/angle distributions and defect evolution.
• Investigated defect diffusion and spatial correlation of lattice orientation.

Main Results:

• Simulated sample configurations showed excellent agreement with experimental data.
• Defect distribution temporal evolution and lattice orientation correlation followed a stretched exponential distribution.
• Domain size changes exhibited a power-law distribution, with defect diffusion analyzed.

Conclusions:

• The study provides insights into domain growth processes in polycrystalline graphene.
• Findings offer guidance for theoretical and experimental advancements in graphene research.
• The impact of buckling on crystallization rates under substrate effects was examined.