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Issue 31, 2016
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Tunable electronic structure and enhanced optical properties in quasi-metallic hydrogenated/fluorinated SiC heterobilayer

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Abstract

Graphene-like silicon carbide (SiC) has emerged as a rapidly rising star on the horizon of two-dimensional (2D) layered materials. In this work, we execute a systematic theoretical investigation of the atomic and electronic structure of a fully hydrogenated/fluorinated SiC (H/F-SiC) heterobilayer, which has a quasi-metallic character in its most stable stacking pattern, to predict its electronic and optical properties. We demonstrate that a direct band gap at the Γ point can be opened in the quasi-metallic H/F-SiC heterobilayer by applying an external electric field (E-field). Especially, when altering the strength of the E-field, this system undergoes a transition from quasi-metallic state to semiconductor. We predict that the mobilities are rather high due to the low carrier effective mass and high Fermi velocity. Light absorption spectra indicate that the H/F-SiC heterobilayer has evident infrared light absorption, and complete electron–hole separation can enhance the photocatalytic efficiency. Our findings pave the way for experimental research on the development of 2D material science using weak interlayer interactions and indicate the great application potential of the H/F-SiC heterobilayer in future nanoelectronics and optoelectronics.

Graphical abstract: Tunable electronic structure and enhanced optical properties in quasi-metallic hydrogenated/fluorinated SiC heterobilayer

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Publication details

The article was received on 14 May 2016, accepted on 11 Jul 2016 and first published on 12 Jul 2016


Article type: Paper
DOI: 10.1039/C6TC01988A
Citation: J. Mater. Chem. C, 2016,4, 7406-7414
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    Tunable electronic structure and enhanced optical properties in quasi-metallic hydrogenated/fluorinated SiC heterobilayer

    X. Chen, J. Jiang, Q. Liang, R. Meng, C. Tan, Q. Yang, S. Zhang and H. Zeng, J. Mater. Chem. C, 2016, 4, 7406
    DOI: 10.1039/C6TC01988A

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