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Cobalt-doping in Cu2SnS3: Enhanced thermoelectric performance by synergy of phase transition and band structure modification

Abstract

Low toxicity, earth abundance ternary sulfide Cu2SnS3 which used to be studied in photovoltaic field has attracted much attention as an outstanding p-type thermoelectric material recently. In the present work, significant synergistic effects of d-orbital-unfilled transition metal (Co) doping on the crystal structure and electrical/thermal properties of Cu2SnS3 were reported. Crystal structure revolution with Co doping, involving not only a monoclinic to cubic and tetragonal transition, but also the formation of hierarchical architecture (Cu-S nano-precipitates, metal and S vacancies, and even nano-scaled stacking fault), is related to bond softening and intensified phonon scattering. Thus, an ultralow lattice thermal conductivity of 0.90 Wm-1K-1 at 323 K to 0.33 Wm-1K-1 at 723 K was obtained. Moreover, an increased effective mass which is the contribution of Co 3d states to the inherent Cu 3d and S 3p states in the valence band, leading to a remarkable power factor (0.94 mWm-1K-2, x = 0.20 at 723 K) by optimal doping. As a result, a high ZT ~ 0.9 at 723 K, push modified Cu2SnS3 to the state-of-the-art throne of mid temperature eco-friendly sulfide thermoelectric materials.

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Publication details

The article was received on 13 Aug 2017, accepted on 25 Sep 2017 and first published on 25 Sep 2017


Article type: Paper
DOI: 10.1039/C7TA07140J
Citation: J. Mater. Chem. A, 2017, Accepted Manuscript
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    Cobalt-doping in Cu2SnS3: Enhanced thermoelectric performance by synergy of phase transition and band structure modification

    H. Zhao, X. Xu, C. Li, R. Zhang, R. Huang, Y. Lv, D. Li, X. Hu, L. Pan and Y. Wang, J. Mater. Chem. A, 2017, Accepted Manuscript , DOI: 10.1039/C7TA07140J

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