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The role of Sb in solar cell material Cu2ZnSnS4

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Abstract

In this study, based on first-principles calculations we report a possible mechanism of efficiency improvement of Sb-doped Cu2ZnSnS4 (CZTS) solar cells from the Sb-related defect point of view. Different from Sb in CuInSe2 which substituted the Cu atomic site and acted as group-13 elements under Cu-poor growth conditions, we find out that Sb prefers to substitute Sn atomic sites and acts as group-14 elements under Cu-poor growth conditions in CZTS. At low Sb concentration, SbSn produces a deep defect level which is detrimental for the solar cell application. At high Sb concentration, Sb 5s states form an isolated half-filled intermediate band at 0.5 eV above the valence band maximum which will increase the photocurrent as well as the solar cell efficiency.

Graphical abstract: The role of Sb in solar cell material Cu2ZnSnS4

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Publication details

The article was received on 04 Feb 2017, accepted on 01 Mar 2017, published on 03 Mar 2017 and first published online on 03 Mar 2017


Article type: Paper
DOI: 10.1039/C7TA01090G
Citation: J. Mater. Chem. A, 2017, Advance Article
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    The role of Sb in solar cell material Cu2ZnSnS4

    X. Zhang, M. Han, Z. Zeng and Y. Duan, J. Mater. Chem. A, 2017, Advance Article , DOI: 10.1039/C7TA01090G

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