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Complex Strain Scapes in Reconstructed Transition-Metal Dichalcogenide Moiré Superlattices
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SYSNO ASEP 0571052 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Complex Strain Scapes in Reconstructed Transition-Metal Dichalcogenide Moiré Superlattices Author(s) Rodríguez Rodríguez, Álvaro (UFCH-W) ORCID, RID
Varillas, Javier (UFCH-W) ORCID
Haider, Golam (UFCH-W) ORCID, RID
Kalbáč, Martin (UFCH-W) RID, ORCID
Frank, Otakar (UFCH-W) RID, ORCIDSource Title ACS Nano. - : American Chemical Society - ISSN 1936-0851
Roč. 17, č. 8 (2023), s. 7787-7796Number of pages 10 s. Language eng - English Country US - United States Keywords Atomic Reconstruction ; Moiré Superlattice ; Molecular Dynamics ; Raman Spectroscopy ; Strain ; Transition-Metal Dichalcogenide Subject RIV CF - Physical ; Theoretical Chemistry OECD category Physical chemistry R&D Projects GX20-08633X GA ČR - Czech Science Foundation (CSF) EF16_026/0008382 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Method of publishing Open access Institutional support UFCH-W - RVO:61388955 UT WOS 000968362700001 EID SCOPUS 85152204163 DOI 10.1021/acsnano.3c00609 Annotation We investigate the intrinsic strain associated with the coupling of twisted MoS2/MoSe2 heterobilayers by combining experiments and molecular dynamics simulations. Our study reveals that small twist angles (between 0 and 2°) give rise to considerable atomic reconstructions, large moiré periodicities, and high levels of local strain (with an average value of ∼1%). Moreover, the formation of moiré superlattices is assisted by specific reconstructions of stacking domains. This process leads to a complex strain distribution characterized by a combined deformation state of uniaxial, biaxial, and shear components. Lattice reconstruction is hindered with larger twist angles (>10°) that produce moiré patterns of small periodicity and negligible strains. Polarization-dependent Raman experiments also evidence the presence of an intricate strain distribution in heterobilayers with near-0° twist angles through the splitting of the E2g1 mode of the top (MoS2) layer due to atomic reconstruction. Detailed analyses of moiré patterns measured by AFM unveil varying degrees of anisotropy in the moiré superlattices due to the heterostrain induced during the stacking of monolayers. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2024 Electronic address https://hdl.handle.net/11104/0342363
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