Novel SnSxSe1−x nanocrystals with tunable band gap: experimental and first-principles calculations

Hao Wei; Yanjie Su; Shangzhi Chen; Yang Lin; Zhi Yang; Xiaoshuang Chen; Yafei Zhang

doi:10.1039/C1JM12968F

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Novel SnS_xSe_1−xnanocrystals with tunable band gap: experimental and first-principles calculations †

Hao Wei,*^a Yanjie Su,^a Shangzhi Chen,^b Yang Lin,^b Zhi Yang,^a Xiaoshuang Chen^c and Yafei Zhang*^a

Author affiliations

* Corresponding authors

^a Key Laboratory for Thin Film and Microfabrication of the Ministry of Education, Institute of Micro/Nano Science and Technology, Shanghai Jiao Tong University, Shanghai, PR China
E-mail: haowei@sjtu.edu.cn, yfzhang@sjtu.edu.cn
Fax: +86 21 3420 5665
Tel: +86 21 3420 5665

^b School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai, PR China

^c National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai, PR China

Abstract

In this paper, the structural and electronic properties of ternary SnS_xSe_1−x semiconductor nanocrystals were systematically investigated through both experimental and computational methods. It reveals that the E_g can be modulated from 0.92 to 1.24 eV in an intrinsic linear variation by controlling the ratio of S/(S + Se). The varying tendency of band gap was also verified via first-principles calculations and analyzed by the density of states (DOS) curves.

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Article information

DOI: https://doi.org/10.1039/C1JM12968F
Article type: Communication
Submitted: 27 Jun 2011
Accepted: 04 Jul 2011
First published: 20 Jul 2011

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J. Mater. Chem., 2011,21, 12605-12608

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Novel SnS_xSe_1−x nanocrystals with tunable band gap: experimental and first-principles calculations

H. Wei, Y. Su, S. Chen, Y. Lin, Z. Yang, X. Chen and Y. Zhang, J. Mater. Chem., 2011, 21, 12605 DOI: 10.1039/C1JM12968F

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Journal of Materials Chemistry