Journal
NANO LETTERS
Volume 16, Issue 6, Pages 3696-3702Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.nanolett.6b00986
Keywords
2D materials; synthesis; grain boundaries; Wulff construction; chemical vapor deposition; transition metal dichalcogenides
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Funding
- ARO MURI grant [W911NF-11-1-0362]
- DOE BES Grant [DE-SC0012547]
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A large number of experimental studies over the past few years observed the formation of unusual highly symmetric polycrystalline twinned nanoislands of transition metal dichalcogenides, resembling bowties or stars. Here, we analyze their morphology in terms of equilibrium and growth shapes. We propose a mechanism for these complex shapes' formation via collision of concurrently growing islands and validate the theory with phase-field simulations that demonstrate how highly symmetric structures can actually emerge from arbitrary starting conditions. Finally, we use first principles calculations to propose an explanation of the predominance of high-symmetry polycrystals with 60 degrees lattice misorientation angles.
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