Journal
ACS NANO
Volume 11, Issue 9, Pages 8612-8618Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsnano.7b03681
Keywords
phase-field modeling; WS2; grain boundaries; topology; topography
Categories
Funding
- DOE BES [DE-SC0012547]
- Office of Naval [N00014-15-1-2372]
- NSF [OCI-0959097, CNS-1338099]
- U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division
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Synthesis of two-dimensional (2D) crystals is a topic of great current interest, since their chemical makeup, electronic, mechanical, catalytic, and optical properties are so diverse. A universal challenge, however, is the generally random formation of defects caused by various growth factors on flat surfaces. Here we show through theoretical analysis and experimental demonstration that nonplanar, curved-topography substrates permit the intentional and controllable creation of topological defects within 2D materials. We augment a common phase field method by adding a geometric phase to track the crystal misorientation on a curved surface and to detect the formation of grain boundaries, especially when a growing mono crystal catches its own tail on a nontrivial topographical feature. It is specifically illustrated by simulated growth of a trigonal symmetry crystal on a conical-planar substrate, to match the experimental synthesis of WS2 on silicon template, with satisfactory and in some cases remarkable agreement of theory predictions and experimental evidence.
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