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

Abstract

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 μm, while for WO3 and WS2 buffer layers, it was 0.1 μm and 0.05 μm, respectively. The optimized acceptor and donor doping concentrations were 1 × 1016 cm−3 and 1 × 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.