10.1021/acs.nanolett.6b00986.s002
Vasilii I. Artyukhov
Vasilii I.
Artyukhov
Zhili Hu
Zhili
Hu
Zhuhua Zhang
Zhuhua
Zhang
Boris I. Yakobson
Boris I.
Yakobson
Topochemistry of Bowtie- and Star-Shaped Metal Dichalcogenide
Nanoisland Formation
American Chemical Society
2016
Topochemistry
calculation
predominance
mechanism
morphology
nanoisland
Bowtie
Dichalcogenide
transition metal dichalcogenides
lattice
Formation
equilibrium
bowtie
formation
misorientation
growth shapes
term
polycrystal
simulation
Nanoisland
2016-05-17 00:00:00
Media
https://acs.figshare.com/articles/media/Topochemistry_of_Bowtie-_and_Star-Shaped_Metal_Dichalcogenide_Nanoisland_Formation/3386098
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° lattice misorientation angles.