Performance enhancement of carbon-based solar cells using SWCNT absorber: A SCAPS-1D simulation and DFT study

Abstract 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, TiO 2 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.