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Issue 44, 2019
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The unexpected effect of vacancies and wrinkling on the electronic properties of MoS2 layers

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Abstract

We report a combined experimental/theoretical approach to study the connection of S-vacancies and wrinkling on MoS2 layers, and how this feature produces significant changes in the electronic structure and reactivity of this 2D material. The MoS2 material, when used as a catalyst in operative conditions, was found to be mainly composed of thin and short 1–5 layer sheets instead of a poorly crystalline structure, as it was previously assumed. Notably wrinkled structures with S-vacancies were also found through transmission electron microscopy. Atomistic simulations revealed a natural connection between sulfur-vacancies, wrinkling and folding. Density functional calculations further revealed that such curved structures present a lower electronic band-gap and a higher reactivity towards thiophene compared to the planar MoS2 counterpart.

Graphical abstract: The unexpected effect of vacancies and wrinkling on the electronic properties of MoS2 layers

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Publication details

The article was received on 05 Aug 2019, accepted on 25 Oct 2019 and first published on 25 Oct 2019


Article type: Paper
DOI: 10.1039/C9CP04347K
Phys. Chem. Chem. Phys., 2019,21, 24731-24739

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    The unexpected effect of vacancies and wrinkling on the electronic properties of MoS2 layers

    F. R. Negreiros, G. J. Soldano, S. Fuentes, T. Zepeda, M. José-Yacamán and M. M. Mariscal, Phys. Chem. Chem. Phys., 2019, 21, 24731
    DOI: 10.1039/C9CP04347K

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