%0 Journal Article %T Crystallochemical Characterizations, Raman Spectroscopy and Studies Nuclear Magnetic Resonance (NMR) of Cu<sub>2</sub>Zn(Sn, Si)S<sub>4 </sub> Compounds for Photovoltaic Applications %A Mohamed Hamdi %A Messaoud Benamira %J Journal of Materials Science and Chemical Engineering %P 24-40 %@ 2327-6053 %D 2022 %I Scientific Research Publishing %R 10.4236/msce.2022.101002 %X In this study, Si-doped Cu2ZnSnS4 compounds (Cu2ZnSn1-xSixS4, 0 ¡Ü x ¡Ü 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 ¡Ü x ¡Ü 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 ¡Ý 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. %K Photovoltaic Cells %K Cu< %K sub> %K 2< %K /sub> %K ZnSnS< %K sub> %K 4< %K /sub> %K Nuclear Magnetic Resonance %K Raman Spectroscopy %U http://www.scirp.org/journal/PaperInformation.aspx?PaperID=114774