Enhancing the Efficiency of CZTS Solar Cells With Dual HTL Configuration and a Novel Buffer Layer Using SCAPS‐1D

Abstract In pursuit of more sustainable solar cell technologies, this study focuses on the development of CZTS‐based solar cells by utilizing novel nontoxic buffer layers with better properties as substitutes for cadmium, which poses environmental and health risks. We explored two distinct cell architectures based on CZTS/TiN x O y and CZTS/CrN x O y , to assess their performance and potential. Additionally, to enhance cell efficiency, we incorporated V 2 O 5 and Spiro‐OMeTAD as a double hole transport layer (HTL). Simulations were conducted via SCAPS 1D software. The effects of various layer parameters, including thickness, acceptor and donor densities, and the defect density of the absorber layer, are also discussed. After optimizing the device, the influence of operating temperature and the impact of series and shunt resistance were also considered. Employing double HTLs of Spiro‐OMeTAD and V₂O₅ achieves a notable efficiency of 25.24% for CZTS/TiN x O y and 25.22% for CZTS/CrN x O y .