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Issue 15, 2017
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Lateral heterostructures of monolayer group-IV monochalcogenides: band alignment and electronic properties

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Abstract

Lateral semiconductor/semiconductor heterostructures made up of two-dimensional (2D) monolayer or few-layer materials provide new opportunities for 2D devices. Herein, we propose four lateral heterostructures constructed by phosphorene-like monolayer group-IV monochalcogenides, including GeS/GeSe, SnS/GeSe, SnSe/GeS and GeS/SnS. Using first-principles calculations, we investigated the energetics and electronic properties of these lateral heterostructures. The band structures and formation energies from supercell calculations demonstrate that these heterostructures retain semiconducting behavior and can be easily synthesized in the laboratory. The band offsets of monolayer, bilayer and trilayer heterojunctions at the Anderson limit are calculated from the valence/conduction band edges with respect to the vacuum energy level for each individual component. Among them, some heterostructures belong to type II band alignment and are promising for a high-efficiency solar cell.

Graphical abstract: Lateral heterostructures of monolayer group-IV monochalcogenides: band alignment and electronic properties

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Publication details

The article was received on 07 Feb 2017, accepted on 13 Mar 2017 and first published on 13 Mar 2017


Article type: Paper
DOI: 10.1039/C7TC00595D
Citation: J. Mater. Chem. C, 2017,5, 3788-3795
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    Lateral heterostructures of monolayer group-IV monochalcogenides: band alignment and electronic properties

    K. Cheng, Y. Guo, N. Han, Y. Su, J. Zhang and J. Zhao, J. Mater. Chem. C, 2017, 5, 3788
    DOI: 10.1039/C7TC00595D

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