Multinuclear (Zn-67, Sn-119 and Cu-65) NMR spectroscopy - an ideal technique to probe the cationic ordering in Cu2ZnSnS4 photovoltaic materials

Leo Choubrac (1) , Michael Paris (1) , Alain Lafond (1) , Catherine Guillot-Deudon (1) , Xavier Rocquefelte (1) , Stéphane Jobic (1)

1 IMN - Institut des Matériaux Jean Rouxel

For the very first time, (67)Zn, (119)Sn and (65)Cu NMR investigations have been carried out on Cu2ZnSnS4 derivatives (CZTS) for photovoltaic applications. NMR spectroscopy is shown to be sensitive enough to probe the Cu/Zn disorder within the kesterite structure of the studied compounds. In addition, reference spectra of Cu2ZnSnS4 are provided, and experimental (67)Zn and (65)Cu parameters are compared with ab initio calculations.

Domaines: Science des matériaux [cond-mat.mtrl-sci]

Leo Choubrac, Michael Paris, Alain Lafond, Catherine Guillot-Deudon, Xavier Rocquefelte, et al.. Multinuclear (Zn-67, Sn-119 and Cu-65) NMR spectroscopy - an ideal technique to probe the cationic ordering in Cu2ZnSnS4 photovoltaic materials. Physical Chemistry Chemical Physics, 2013, 15 (26), pp.10722. ⟨10.1039/c3cp51320c⟩. ⟨hal-00980235⟩