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Preferential S/Se occupation in an anisotropic ReS2(1−x)Se2x monolayer alloy

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Abstract

Band structure engineering of two-dimensional (2D) metal dichalcogenides (TMDs) is crucial for their light–matter interaction and optoelectronic applications. Alloying of different metal or chalcogen elements with different stoichiometries in TMDs provides a versatile and efficient approach for modulating the electronic structure and properties of 2D materials. In 2D alloys, quantification of spatial distribution and local coordination of atoms facilitates the establishment of the structure–property relationship at the atomic scale. Here, we have imaged and analyzed the atomic configuration of sulfur and selenium atoms in anisotropic ReS1.4Se0.6 by scanning transmission electron microscopy (STEM). In Z-contrast images, we have realized the identification and quantification of Re, Se and S at different coordination sites. Different from the random distribution of metal and chalcogen elements in MoS2(1−x)Se2x and Mo1−xWxS2, we find that Se atoms preferentially locate inside of Re4 diamonds in ReS2(1−x)Se2x. Further density function theory (DFT) calculations reveal electronic structure modulation for Se occupation at different sites.

Graphical abstract: Preferential S/Se occupation in an anisotropic ReS2(1−x)Se2x monolayer alloy

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Publication details

The article was received on 20 Jul 2017, accepted on 26 Oct 2017 and first published on 27 Oct 2017


Article type: Paper
DOI: 10.1039/C7NR05289H
Citation: Nanoscale, 2017, Advance Article
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    Preferential S/Se occupation in an anisotropic ReS2(1−x)Se2x monolayer alloy

    W. Wen, J. Lin, K. Suenaga, Y. Guo, Y. Zhu, H. Hsu and L. Xie, Nanoscale, 2017, Advance Article , DOI: 10.1039/C7NR05289H

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