Investigating the potential of WO3 and WS2 as Cd-free buffer layers in Sb2Se3-Based thin-film solar cells: A numerical study with SCAPS-1D software

In this numerical study, the performance of thin-film solar cells (TFSCs) based on Sb2Se3 with WO3 and WS2 materials as Cd-free buffer layers was investigated using SCAPS-1D software. WO3 and WS2 were chosen for their suitable band gaps, good electrical conductivity, and optical transparency. The proposed solar cell structures, Au/Sb2Se3/WO3/ITO and Au/Sb2Se3/WS2/ITO were theoretically examined, considering various factors such as conduction band offset, absorber and buffer layer thickness, doping concentrations, series and shunt resistances, temperature, activation energy, and C-V characteristic. The conduction band offset at the absorber/buffer interface showed spike-like configurations, with values of 0.38 eV and 0.23 eV for the WO3 and WS2 buffer layers, respectively. The optimized thickness for the absorber layer in both structures was 1 mu m, while for WO3 and WS2 buffer layers, it was 0.1 mu m and 0.05 mu m, respectively. The optimized acceptor and donor doping concentrations were 1 x 1016 cm-3 and 1 x 1018 cm-3, respectively. The efficiency of the proposed photovoltaic devices was found to be 9.538 % (with Voc = 0.561 V, Jsc = 30.856 mA/cm2, FF = 55.84 %) and 10.151 % (with Voc = 0.558 V, Jsc = 29.189 mA/cm2, FF = 62.34 %) for structures with WO3 and WS2 buffer layers, respectively. These results suggest that using non-toxic materials like WO3 and WS2 as buffer layers can be an efficient and environmentally friendly alternative to toxic CdS for fabricating cost-effective and highly efficient Sb2Se3-based TFSCs.