Discovering New Pathways to Improved Performance of TFSA-doped Single-Layer Graphene/n-Si Schottky Barrier Solar Cells: A Detailed Numerical Study

This paper describes the modeling and simulation of pristine and doped single-layer graphene/n-Si Schottky barrier solar cells (SBSCs) using finite element method software. The models utilize data from previous studies to ensure accuracy and are validated against experimental measurements. It was discovered through extensive simulations that the ideal Schottky contact model cannot completely capture fabricated devices' behavior. This led to identifying and quantifying nonideal resistive effects, possibly at the graphene-to-n-Si Schottky junction and graphene-to-metal interface, in addition to excessive device shunting effects. Other crucial parameters, such as the front surface recombination velocity, are also estimated. The study demonstrates that the optimal performance of single-layer graphene/n-Si SBSC can be achieved by carefully tuning the graphene's workfunction and the silicon's doping concentration. An optimal combination of these two parameters was found to maximize the open circuit voltage VOC and short circuit current JSC, leading to higher power conversion efficiency (PCE).