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Issue 48, 2019
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Size-controlled excitonic effects on electronic and optical properties of Sb2S3 nanowires

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Abstract

In this work, the electronic and optical properties of one-dimensional (1D) Sb2S3 nanowires (NWs) with different sizes are investigated using first-principles calculations. The indirect–direct band transition of Sb2S3 NWs can be tuned effectively by the NW size and various uniaxial strains. In the Sb2S3 NWs, the quantum confinement effects result in wider bandgaps while the significantly enhanced electron–hole interaction that is expected to produce excitonic bound states generates a bandgap narrowing. The exciton binding energies for the Sb2S3 NWs are predicted by the effective masses of electrons and holes to lie in the range of 0–1 eV, which are larger than that of bulk Sb2S3, suggesting that excitons in Sb2S3 NWs may bind possible defects to promote luminescence. The size-controlled absorption edge blueshift and redshift of Sb2S3 NWs suggest that Sb2S3 NWs may be promising in the applications of nanoscale light emitting devices.

Graphical abstract: Size-controlled excitonic effects on electronic and optical properties of Sb2S3 nanowires

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Publication details

The article was received on 17 Sep 2019, accepted on 12 Nov 2019 and first published on 12 Nov 2019


Article type: Paper
DOI: 10.1039/C9CP05134A
Phys. Chem. Chem. Phys., 2019,21, 26515-26524

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    Size-controlled excitonic effects on electronic and optical properties of Sb2S3 nanowires

    Y. Peng, C. Xia, Z. Tan, J. An and Q. Zhang, Phys. Chem. Chem. Phys., 2019, 21, 26515
    DOI: 10.1039/C9CP05134A

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