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

For the very first time, Zn-67, Sn-119 and Cu-65 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 Zn-67 and Cu-65 parameters are compared with ab initio calculations.