In pace with emergency of new material and progress of material synthesis process, novel energy solar cells have cells has broader application prospect. Numerical simulation of the theoretical model of these new generation solar cell absolutely involves the unique photoelectric characteristics of materials. Single and conventional simulation method and software can't meet the requirements of analysis based on both innovative device and new materials applied to the device. Consequently, we demonstrate a feasible strategy through combining the simulation method about photovoltaic devices (FDTD, Finite Difference Time Domain) and properties of materials (vasp, Vienna Ab-initio Simulation Package) to make a comprehensive and specific research on organic hybrid heterojunction solar cells (PEDOT:PSS/Si HHSCs).<br/>Our core content is related to simulate and calculate the band structure, density of states and carrier mobility of the crystalline part PEDOT and the intermediate product PEDOT:Tos, the result indicates the crystalline- PEDOT part in PEDOT: PSS directly determines its semiconductor characteristics, and also confirms that wash-off the PSS part makes the properties of PEDOT:PSS change from semiconductor characteristics to metallicity. In addition, the results of material simulation are set as input parameters in order to simulate the complete solar cell. Moreover, the etching structure for light trapping is also optimized. Eventually, the HHSCs exhibited a VOC of 0.65V, Jsc of 35.71mA/cm2, FF of 66.88%, and yielding a PCE of 15.70%, which matched with the experimental results.

Numerical simulation and research on material properties and photoelectric performance of PEDOT:PSS/Si solar cells

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