Hybrid solar cells integrating both inorganic semiconductor and organic polymers have garnered significant research interests due to combined advantages of both materials, solution based low-temperature processing and high efficiency. Numerical modelling and simulation offer very useful method for investigating and designing such devices for their optimum photovoltaic (PV) performance. Software based computational modelling is easily available, cost-effective and time-efficient than experimental approaches which demand significant resources and time. Present study investigates the potential of poly (3-hexyl thiophene) (P3HT) as an organic conjugate polymer and hole transport layer with n-silicon (n-Si) wafer based hybrid junction solar cells in the simplest device architecture via Solar cell Capacitance Simulator in one dimension (SCAPS-1D) tool, which have not been explored yet. The SCAPS-1D is used due to its capability to simulate heterojunction-based thin-film and hybrid solar cells using the drift-diffusion model with Poisson’s equation. It offers user-friendly input and visualization of PV parameters. Unlike other simulations tools such as Silvaco, ATLAS, TCAD, the SCAPS-1D is freely available. This tool can work under both illumination and dark conditions and can introduce seven semiconductor layers. This tool has potential to simulate J-V characteristics curve, capacitance-voltage (C-V) curve, capacitance-frequency (C-F) curve, quantum efficiency (Q-E) response. Here, a comprehensive investigation of various controllable materials and device parameters including; thickness (t), donor density (Nd), acceptor density (Na), defect density (Nt), temperature (T), series resistance (Rs), shunt resistance (Rsh), and combination of front and back metal contacts (work function) on solar cell performance parameters, namely open circuit voltage (Voc), short circuit current density (Jsc), fill factor (FF) and power conversion efficiency (PCE) have been numerically analysed. It is found that maximum PCE of the basic device design ‘Ni/P3HT/n-Si/Al’ could reach as high as 21.58% corresponding to Voc, Jsc and FF of 0.709 V, 36.11 mA/cm2, and FF 84.22% respectively under the optimized conditions. The optimized parameters found are: tSi ~ 200 μm, Nd and Nt as 1.0 × 1017 cm− 3 and 1.0 × 1011 cm− 3 respectively, thickness of P3HT (tP3HT) as 25 nm, and its Na as 1.0 × 1018 cm− 3 with Ni as front and Al as back metal contacts under the standard test conditions (AM 1.5 G spectrum, 1000 W/m2 radiance at 25 °C). The study presents the optimised performance of solar cell and associated valuable parameters which could be explored for the design and fabrication of solution based cost-effective and efficient P3HT-silicon hybrid solar cells. Graphical abstract

Highly efficient silicon-P3HT heterojunction based hybrid solar cells: numerical analysis by SCAPS-1D

期刊论文
发表日期：

2025年6月28日

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Riya Bansal,
Urvashi Punia,
Jayant,
Deepak Sharma,
Ruchi K. Sharma,
Sanjay K. Srivastava

摘要

Hybrid solar cells integrating both inorganic semiconductor and organic polymers have garnered significant research interests due to combined advantages of both materials, solution based low-temperature processing and high efficiency. Numerical modelling and simulation offer very useful method for investigating and designing such devices for their optimum photovoltaic (PV) performance. Software based computational modelling is easily available, cost-effective and time-efficient than experimental approaches which demand significant resources and time. Present study investigates the potential of poly (3-hexyl thiophene) (P3HT) as an organic conjugate polymer and hole transport layer with n-silicon (n-Si) wafer based hybrid junction solar cells in the simplest device architecture via Solar cell Capacitance Simulator in one dimension (SCAPS-1D) tool, which have not been explored yet. The SCAPS-1D is used due to its capability to simulate heterojunction-based thin-film and hybrid solar cells using the drift-diffusion model with Poisson’s equation. It offers user-friendly input and visualization of PV parameters. Unlike other simulations tools such as Silvaco, ATLAS, TCAD, the SCAPS-1D is freely available. This tool can work under both illumination and dark conditions and can introduce seven semiconductor layers. This tool has potential to simulate J-V characteristics curve, capacitance-voltage (C-V) curve, capacitance-frequency (C-F) curve, quantum efficiency (Q-E) response. Here, a comprehensive investigation of various controllable materials and device parameters including; thickness (t), donor density (N_d), acceptor density (N_a), defect density (N_t), temperature (T), series resistance (R_s), shunt resistance (R_sh), and combination of front and back metal contacts (work function) on solar cell performance parameters, namely open circuit voltage (V_oc), short circuit current density (J_sc), fill factor (FF) and power conversion efficiency (PCE) have been numerically analysed. It is found that maximum PCE of the basic device design ‘Ni/P3HT/n-Si/Al’ could reach as high as 21.58% corresponding to V_oc, J_sc and FF of 0.709 V, 36.11 mA/cm², and FF 84.22% respectively under the optimized conditions. The optimized parameters found are: t_Si ~ 200 μm, N_d and N_t as 1.0 × 10¹⁷ cm^− 3 and 1.0 × 10¹¹ cm^− 3 respectively, thickness of P3HT (t_P3HT) as 25 nm, and its N_a as 1.0 × 10¹⁸ cm^− 3 with Ni as front and Al as back metal contacts under the standard test conditions (AM 1.5 G spectrum, 1000 W/m² radiance at 25 °C). The study presents the optimised performance of solar cell and associated valuable parameters which could be explored for the design and fabrication of solution based cost-effective and efficient P3HT-silicon hybrid solar cells.

Graphical abstract