Atomic insights into phase evolution in ternary transition-metal dichalcogenides nanostructures

Zou, Yi-Chao and Chen, Zhi-Gang and Aso, Kohei and Zhang, Chenxi and Kong, Fantai and Hong, Min and Matsumura, Syo and Cho, Kyeongjae and Zou, Jin (2018) Atomic insights into phase evolution in ternary transition-metal dichalcogenides nanostructures. Small, 14 (22 (1800780)). pp. 1-6. ISSN 1613-6810


Phase engineering through chemical modification can significantly alter the properties of transition-metal dichalcogenides, and allow the design of many novel electronic, photonic, and optoelectronics devices. The atomic-scale mechanism underlying such phase engineering is still intensively investigated but elusive. Here, advanced electron microscopy, combined with density functional theory calculations, is used to understand the phase evolution (hexagonal 2H -> monoclinic T'-> orthorhombic T-d) in chemical vapor deposition grown Mo1-xWxTe2 nanostructures. Atomic-resolution imaging and electron diffraction indicate that Mo1-xWxTe2 nanostructures have two phases: the pure monoclinic phase in low W-concentrated (0 < x <= 10 at.%) samples, and the dual phase of the monoclinic and orthorhombic in high W-concentrated (10 < x < 90 at.%) samples. Such phase coexistence exists with coherent interfaces, mediated by a newly uncovered orthorhombic phase T-d'. T-d', preserves the centrosymmetry of T' and provides the possible phase transition path for T'-> Td with low energy state. This work enriches the atomic-scale understanding of phase evolution and coexistence in multinary compounds, and paves the way for device applications of new transition-metal dichalcogenides phases and heterostructures.

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Item Type: Article (Commonwealth Reporting Category C)
Refereed: Yes
Item Status: Live Archive
Additional Information: Published version cannot be displayed due to copyright restrictions.
Faculty / Department / School: Current - Faculty of Health, Engineering and Sciences - No Department
Date Deposited: 21 Feb 2019 03:48
Last Modified: 22 Feb 2019 00:23
Uncontrolled Keywords: 2D materials; electron microscopy; metal dichinversion symmetry-breaking; 2-dimensional materials; monolayer mote2; heterostructures; charge alcogenides;
Fields of Research : 03 Chemical Sciences > 0302 Inorganic Chemistry > 030206 Solid State Chemistry
10 Technology > 1007 Nanotechnology > 100708 Nanomaterials
09 Engineering > 0912 Materials Engineering > 091205 Functional Materials
02 Physical Sciences > 0204 Condensed Matter Physics > 020403 Condensed Matter Modelling and Density Functional Theory
Socio-Economic Objective: E Expanding Knowledge > 97 Expanding Knowledge > 970103 Expanding Knowledge in the Chemical Sciences
Identification Number or DOI: 10.1002/smll.201800780

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