研究目的
Exploring the mechanism of graphene nucleation and growth around CuO defects on a Cu(111) substrate and studying the defect formation mechanism at the initial nucleation stage.
研究成果
The introduction of CuO defects could promote the initial nucleation of graphene around CuO and suppress the nucleation on the clean Cu(111) substrate. Graphene prefers to nucleate and grow centered on CuO “seed crystals,” which verifies the results of the calculations. The step structure would not lead to significant formation of defective graphene.
研究不足
The study focuses on the nucleation mechanism of graphene on Cu(111) substrates with CuO and Cu2O defects, and the transformation reactions between perfect and defective graphene rings at the initial nucleation stage. The technical and application constraints of the experiments, as well as potential areas for optimization, are not explicitly mentioned.
1:Experimental Design and Method Selection:
Density functional theory (DFT) combined with the nudged elastic band (NEB) method was used to explore the mechanism of graphene nucleation on Cu(111) substrates with CuO and Cu2O defects.
2:Sample Selection and Data Sources:
Graphene was grown on 25 μm thick commercial copper foils by a CVD method.
3:List of Experimental Equipment and Materials:
Commercial copper foils (Alfa Aesar,
4:8%, NO.46986), field emission scanning electron microscope (FE-SEM, Hitachi S-4800), LabRAM HR800 confocal Raman spectrometer, X-ray photoelectron spectrometer (XPS, ThermoFisher ESCALAB 250), Talos F200X high-resolution transmission electron microscope. Experimental Procedures and Operational Workflow:
The copper substrate was electrochemically polished, ultrasonically washed, and then subjected to a CVD process with high purity Ar gas, O2, and H2 gas for oxidation and reduction. Graphene growth was conducted under a mixture of CH4 and H
5:Data Analysis Methods:
The crystallinity and orientation of the copper substrate were analyzed using XRD. The morphology of the grown graphene was observed using FE-SEM. Raman spectra were acquired for layer number characterization. Elemental and valence analysis were conducted by EDS and XPS.
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