Tunable band gap Cu2ZnSnS4xSe4(1−x) nanocrystals: experimental and first-principles calculations

Hao Wei; Zichao Ye; Meng Li; Yanjie Su; Zhi Yang; Yafei Zhang

doi:10.1039/C0CE00779J

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Tunable band gap Cu₂ZnSnS_4xSe_4(1−x)nanocrystals: experimental and first-principles calculations

Hao Wei,^a Zichao Ye,^b Meng Li,^b Yanjie Su,^a Zhi Yang*^a and Yafei Zhang*^a

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* Corresponding authors

^a National Key Laboratory of Nano/Micro Fabrication Technology, 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: zhiyang@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

Abstract

Comprehensive characterization of properties and first-principles calculations were first introduced to analyze tunable band gap Cu₂ZnSnS_4xSe_4(1−x) (CZTSSe) nanocrystals. Interesting aspects of composition and morphology were deeply explored. As the ratio of Se/(S + Se) rises, the parabolic nature of their tunable band gaps from 1.28 to 1.50 eV was revealed and verified.

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Article information

DOI: https://doi.org/10.1039/C0CE00779J
Article type: Communication
Submitted: 27 Oct 2010
Accepted: 08 Feb 2011
First published: 23 Feb 2011

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CrystEngComm, 2011,13, 2222-2226

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Tunable band gap Cu₂ZnSnS_4xSe_4(1−x) nanocrystals: experimental and first-principles calculations

H. Wei, Z. Ye, M. Li, Y. Su, Z. Yang and Y. Zhang, CrystEngComm, 2011, 13, 2222 DOI: 10.1039/C0CE00779J

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