Crystal Structures of Photovoltaic Chalcogenides, an Intricate Puzzle to Solve: the Cases of CIGSe and CZTS Materials

Authors

  • Alain Lafond,

    Corresponding author
    1. Institut des Matériaux Jean Rouxel, Université de Nantes CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes cedex 3, France
    • Institut des Matériaux Jean Rouxel, Université de Nantes CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes cedex 3, France, Fax: +33-240-37.39.95
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  • Léo Choubrac,

    1. Institut des Matériaux Jean Rouxel, Université de Nantes CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes cedex 3, France
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  • Catherine Guillot-Deudon,

    1. Institut des Matériaux Jean Rouxel, Université de Nantes CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes cedex 3, France
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  • Philippe Deniard,

    1. Institut des Matériaux Jean Rouxel, Université de Nantes CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes cedex 3, France
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  • Stephane Jobic

    1. Institut des Matériaux Jean Rouxel, Université de Nantes CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes cedex 3, France
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  • Supporting Information for this article is available on the WWW under http://dx.doi.org/10.1002/zaac.201200279 or from the author.

Abstract

Light harvesting chalcogenide materials have strong potential applications for photovoltaic due, in part, to the ability of their structures to accommodate shift from the ideal stoichiometry. This study is devoted to the chemical and structural investigations of two specific series of materials, Cu(In, Ga)Se2 (CIGSe) and Cu2ZnSnS4 (CZTS). Both of them receive currently a strong incentive in the domain of thin film solar cells. On the basis of accurate chemical analyses, conventional powder and single-crystal X-ray diffraction, resonant X-ray scattering with synchrotron radiation the capacity of the chalcopyrite and kesterite structures of CIGSe and CZTS to accommodate deviations from the stoichiometry is discussed. Formally, the former is found to be more flexible than the latter even if this one can self adapt to copper-poor and copper-rich compositions without any structural change except in terms of the cation distributions.

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