High-Efficiency Cs2TiBr6 Lead-Free Perovskite Solar Cell Enabled by All-inorganic CZTS/NiO Double Hole Transport Layer: A Numerical Simulation Study
Ti-based Cs?TiBr? double-halide perovskites are promising for optoelectronic and renewable
energy applications, offering a non-toxic alternative to Pb-based perovskite solar cells (PSCs).
This study uses SCAPS-1D to simulate a Cs?TiBr?-based PSC incorporating a CZTS/NiO
double hole transport layer (HTL) to enhance power conversion efficiency (PCE). The double
HTL improves hole transport, strengthens electron blocking, and reduces interfacial
recombination. The optimized FTO/CeOx/Cs?TiBr?/CZTS/NiO/Au architecture achieves a
PCE of 27.78%, significantly higher than the prototype (11.62%), under optimized parameters
including absorber and interface defect densities, electron capture cross-section, and CZTS
thickness. Notably, the ETL-free structure (FTO/Cs?TiBr?/CZTS/NiO/Au) attains the same
PCE (27.78%), indicating that the CeOx ETL is dispensable for a simplified, and cost-effective
design. The achieved efficiency exceeds previous reports on Cs?TiBr?-based PSCs