Author(s)

Mohamed Hamdi¹, Messaoud Benamira²

¹Northern Border University, Arar, Turaif, Saudi Arabia.
²Laboratory of Interaction Materials and Environment (LIME), University of Mohamed Seddik Ben Yahia-Jijel, Jijel, Algeria.

In this study, Si-doped Cu₂ZnSnS₄ compounds (Cu₂ZnSn_1-xSi_xS₄, 0 ≤ x ≤ 1) were prepared by solid state reaction method for use of materials for photovoltaic cells. The structural and spectroscopic properties of the as-prepared compounds were studied by X-ray diffraction (XRD), ¹¹⁹Sn, ²⁹Si and ⁶⁵Cu Magic Angle Spinning nuclear magnetic resonance (MAS NMR) and Raman spectroscopy. The Si-substitution in the Sn-site induces three different types of XRD patterns which depend largely on the Si content in the compound. For 0 ≤ x ≤ 0.5, XRD analysis reveals the presence of a pure tetragonal phase of solid solution with I-42m as a space group. Mixed tetragonal and orthorhombic phases were observed for 0.5 < x < 0.8, followed by a pure orthorhombic structure with a space group Pmn2₁ at high content of Si (x ≥ 0.8). ¹¹⁹Sn MAS NMR spectra show the presence of Sn/Si disorder as a function of the Si content. The ⁶⁵Cu MAS NMR spectra of the quadratic solid solution confirm the presence of the two copper sites (Cu-2a and Cu-2c) at 780 ppm while in the case of the orthorhombic solid solution samples, a very broad band is observed. The optical properties were investigated of all compounds by UV-Vis diffuse reflectance and the obtained optical band gap values (1.31 to 2.43 eV) confirm a semiconductor character.

Photovoltaic Cells, Cu₂ZnSnS₄, Nuclear Magnetic Resonance, Raman Spectroscopy

Hamdi, M. and Benamira, M. (2022) Crystallochemical Characterizations, Raman Spectroscopy and Studies Nuclear Magnetic Resonance (NMR) of Cu₂Zn(Sn, Si)S₄ Compounds for Photovoltaic Applications. Journal of Materials Science and Chemical Engineering, 10, 24-40. doi: 10.4236/msce.2022.101002.