Journal
ADVANCED FUNCTIONAL MATERIALS
Volume 31, Issue 29, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/adfm.202100503
Keywords
2D materials; epitaxial growth; hexagonal boron nitride; high‐ index Cu surfaces
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Funding
- [IBS-R019-D1]
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The study reveals that the step density on high-index surfaces plays a crucial role in the epitaxial growth of 2D single crystals, while surface roughness and alignment of step edges are important factors affecting the orientation of hBN. High-index surfaces with large step density are robust for templating the epitaxial growth of 2D single crystals.
Recently, the successful synthesis of wafer-scale single-crystal graphene, hexagonal boron nitride (hBN), and MoS2 on transition metal surfaces with step edges boosted the research interests in synthesizing wafer-scale 2D single crystals on high-index substrate surfaces. Here, using hBN growth on high-index Cu surfaces as an example, a systematic theoretical study to understand the epitaxial growth of 2D materials on various high-index surfaces is performed. It is revealed that hBN orientation on a high-index surface is highly dependent on the alignment of the step edges of the surface as well as the surface roughness. On an ideal high-index surface, well-aligned hBN islands can be easily achieved, whereas curved step edges on a rough surface can lead to the alignment of hBN along with different directions. This study shows that high-index surfaces with a large step density are robust for templating the epitaxial growth of 2D single crystals due to their large tolerance for surface roughness and provides a general guideline for the epitaxial growth of various 2D single crystals.
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