Performance Enhancement of Carbon-Based Solar Cells Using SWCNT Absorber: A SCAPS-1D Simulation and DFT Study

This study presents a comprehensive investigation into the performance enhancement of solar cells using single-walled carbon nanotubes (SWCNTs) as the primary photoactive absorber layer.A systematic analysis was conducted on 25 different configurations combining various electron transport layers (ETLs) and hole transport layers (HTLs), along with a parametric evaluation of series and shunt resistances, temperature effects, and defect densities. Using the SCAPS-1D simulation, we optimized structural parameters such as layer thicknesses and doping concentrations to maximize device efficiency. Among the tested architectures, the configuration comprising SWCNT as the absorber, TiO₂ as the ETL, and Copper Barium Tin Sulfide (CBTS) as the HTL demonstrated the best performance, achieving a power conversion efficiency (PCE) of 33.22%, a fill factor (FF) of 87.24%, a short-circuit current density (J SC ) of 26.12 mA•cm⁻², and an open-circuit voltage (V OC ) of 1.46 V under standard AM1.5G illumination. These findings underscore the potential of carbon-based photovoltaic technologies and mark a promising advancement toward efficient, sustainable, and low-toxicity solar energy solutions.