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Two-Dimensional Transition Metal Dichalcogenides under Electron Irradiation: Defect Production and Doping

Open access
Komsa, Hannu-Pekka, Kotakoski, Jani, Kurasch, Simon, Lehtinen, Ossi, Kaiser, Ute, Krasheninnikov, Arkady V.·2012·Physical Review Letters

Abstract

Using first-principles atomistic simulations, we study the response of atomically thin layers of transition metal dichalcogenides (TMDs)--a new class of two-dimensional inorganic materials with unique electronic properties--to electron irradiation. We calculate displacement threshold energies for atoms in 21 different compounds and estimate the corresponding electron energies required to produce defects. For a representative structure of MoS2, we carry out high-resolution transmission electron microscopy experiments and validate our theoretical predictions via observations of vacancy formation under exposure to an 80 keV electron beam. We further show that TMDs can be doped by filling the vacancies created by the electron beam with impurity atoms. Thereby, our results not only shed light on the radiation response of a system with reduced dimensionality, but also suggest new ways for engineering the electronic structure of TMDs.

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Metadata

Authors
Komsa, H.-P., Kotakoski, J., Kurasch, S., Lehtinen, O., Kaiser, U., & Krasheninnikov, A. V.
Venue
Physical Review Letters
Published
2012-07-17
Volume
109
Issue
3
Pages
035503-035503
ISSN
  • 0031-9007 (ISSN-L)
  • 1079-7114
OpenAlex
W2013025219
Cited by
1,168
References
3
FWCI
20.27
Type
journal article
Language
en
Open access
green

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Komsa, H.-P., Kotakoski, J., Kurasch, S., Lehtinen, O., Kaiser, U., & Krasheninnikov, A. V. (2012). Two-Dimensional Transition Metal Dichalcogenides under Electron Irradiation: Defect Production and Doping. Physical Review Letters. https://doi.org/10.1103/physrevlett.109.035503

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