University of Oulu

J. Phys. Chem. C 2021, 125, 24, 13601–13609,

Defect agglomeration and electron-beam-induced local-phase transformations in single-layer MoTe2

Saved in:
Author: Köster, Janis1; Ghorbani-Asl, Mahdi2; Komsa, Hannu-Pekka3,4;
Organizations: 1Electron Microscopy Group of Materials Science, Ulm University, Albert-Einstein-Allee 11, 89081 Ulm, Germany
2Institut of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, 01328 Dresden, Germany
3Department of Applied Physics, Aalto University, PO Box 14100, 00076 Aalto, Finland
4Microelectronics Research Unit, University of Oulu, PO Box 8000, 90014 Oulu, Finland
Format: article
Version: accepted version
Access: open
Online Access: PDF Full Text (PDF, 1.5 MB)
Persistent link:
Language: English
Published: American Chemical Society, 2021
Publish Date: 2022-06-14


Atom migrations in single-layer 1H-MoTe2 are studied with Cc/Cs-corrected high-resolution transmission electron microscopy at an electron energy of 40 keV using the electron beam simultaneously for material modification and imaging. After creating tellurium vacancies and vacancy lines, we observe their migration pathways across the lattice. Furthermore, we analyze phase transformations from the 1H- to the 1T’-phase associated with the strain induced due to the formation of Te vacancy lines. Combining the experimental data with the results of first-principles calculations, we explain the energetics and driving forces of point- and line-defect migrations and the phase transformations due to an interplay of electron-beam-induced energy input, atom ejection, and strain spread. Our results enhance the understanding of defect dynamics in 2D transition metal dichalcogenides, which should facilitate tailoring their local optical and electronic properties.

see all

Series: The journal of physical chemistry. C
ISSN: 1932-7447
ISSN-E: 1932-7455
ISSN-L: 1932-7447
Volume: 125
Issue: 24
Pages: 13601 - 13609
DOI: 10.1021/acs.jpcc.1c02202
Type of Publication: A1 Journal article – refereed
Field of Science: 213 Electronic, automation and communications engineering, electronics
216 Materials engineering
Funding: We acknowledge funding from the German Research Foundation (DFG), project KR 48661/1, and through the collaborative research center “Chemistry of Synthetic 2D Materials” SFB-1415-417590517. We acknowledge the German ResearchFoundation (DFG) and the Ministry of Science, Researchand the Arts (M.W.K.) of the federal state of Baden-Württemberg, Germany, in the frame of the SALVE (Sub Angström Low-Voltage Electron Microscopy) project (KA1295/21-1). The further, thank HLRS, Stuttgart, Germany, and TU Dresden (Taurus cluster) for generous grants of CPU time.
Copyright information: © 2021 American Chemical Society. his document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see