Intermediate band induced by p-block metalloid antimony in SnS2 for higher solar energy utilization. (September 2020)

• Record Type: Journal Article
• Authors: Hu, Keyan; Gu, Yuhao; Xu, Zian; Wang, Dong; Liu, Xiangye; Zhao, Wei; Huang, Fuqiang
• Is Part Of: Materials today communications. Volume 24(2020)
• Publication Date: 2020-09
• Subjects: Intermediate band -- Solar energy utilization -- First principles calculations -- Solid state reaction -- p-block metalloid antimony; Materials science -- Periodicals; 620.11
• DOI: 10.1016/j.mtcomm.2020.101333
• Languages: English
• ISSNs: 2352-4928

Abstract

Graphical abstract: Intermediate band Sn1- x Sb x S2 semiconductors have been synthesized by the facile solid state reaction for higher utilization of solar energy compared with pristine SnS2 . Highlights: Sn1- x Sb x S2 semiconductors possessing an intermediate band were successfully synthesized through solid state reactions. The typical intermediate band absorption features of Sn1- x Sb x S2 are consistent with our first principles calculations. Sn1- x Sb x S2 exhibit a much extended solar absorption range. Charge carrier transfer is relatively efficient between p -block metalloid antimony and ligand. Sn1- x Sb x S2 show superior photocatalytic activity. Abstract: Semiconductors with intermediate bands have attracted tremendous attention due to their superior solar energy utilization. Herein, we propose a simple approach to introduce the intermediate band through substituting tin by p -block metalloid antimony in SnS2 . Experimentally, Sn1- x Sb x S2 ( x up to 0.06) semiconductors possessing an intermediate band were successfully synthesized through solid state reactions. After antimony doping, two absorption edges appear at 2.31 eV and 1.63 eV in the visible light region, and one absorption shoulder starting at 0.68 eV emerges in the infrared region, as observed from the UV–vis-NIR absorption spectra. These typical intermediate band absorption features are consistent with our first principles calculations. The state of the intermediate band of Sn1- x Sb x S2 is mainly composed of the Sb-5 s orbital from maximally-localized Wannier function analysis. Owing to the antimony intermediate band extending the solar absorption range, Sn1- x Sb x S2 semiconductors exhibit a higher utilization of solar energy compared with pristine SnS2 .