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Polymer solar cell has an easy area of ??integration can be made on flexible substrates, device fabrication process is simple, low cost, you can also adjust the electronic bandgap, pollution-free production process and other advantages, become the one of the hot spots. Science is the latest report, the laboratory of the world's highest efficiency has reached 9.2%, the tremendous achievements compared to the experimental study, the physical mechanism of organic solar cells work to prepare simulation software, simulation best theoretical value is obviously insufficient, This restricts the improvement of the performance of organic solar cells. This thesis is prepared for the mechanism of polymer solar cells a set of simulation software system based on the experimental study of the optimization of the device structure, designed to improve the photoelectric conversion efficiency of the device. Based on this, the papers do the following work: first, as a model of polymer solar cells, theoretical analysis and simulation studies. Polymer solar cell is a photoelectric conversion process: the light absorption to generate excitons, exciton separation to form a carrier, the carrier transporting and collecting, software simulation analysis. VC software to prepare a set of simulation software system, while using the equivalent circuit of the solar cell, the analog output characteristics of polymer solar cells. Exciton generation, carrier transmission of this paper, the theoretical model, simulation methods and simulation software interface are done in detail. The same time, to do the simulation with the experimental results compared with experimental values: 0.66 V, the open circuit voltage (Voc), short circuit current (Jsc) 5.72mA/cm2, fill factor (FF) of 0.36 and the photoelectric conversion efficiency (ηp) 1.86%; simulation value: the open circuit voltage (Voc) 0.75V, short circuit current (Jsc) 9.82mA/cm2, the fill factor (FF) of 0.45, and the photoelectric conversion efficiency (ηp), 3.26%. As software system parameter settings idealized factor is the reason for the difference of the generated. More expensive price of organic material, organic solar cells developed simulation software system can play a cost savings, to play an active role to guide the work of solar cell research, and can play a role in solar cells new varieties, new technology research. Second, based on the simulation software system-generated simulation value, respectively, to improve the rate of exciton generation, transfer rate and the dissociation rate, lower exciton recombination rate for experimental research, and achieved good results, to improve the device efficiency. (1) donor / acceptor material mixing ratio of 1:4 efficient photoelectric conversion efficiency (ηp) 1.87%, an appropriate proportion will directly affect the surface morphology of the film-forming, changing donor phase and acceptor phase separation conditions, thereby affecting the open circuit voltage and short circuit current of the battery; highest efficiency (2) a co-solvent of chlorobenzene and chloroform, the photoelectric conversion efficiency (ηp) of 1.98%, to obtain a different micro-phase structure of the surface of the film state; (3) Heat treatment temperature of 110 ° C the highest efficiency, the photoelectric conversion efficiency (ηp) of 1.77%, a good conductive network can be formed, there is conducive to the transfer of charge, to increase the short-circuit current of the device, increase the fill factor; make the thickness of the buffer layer (4) with Bphen 10 nm, the highest efficiency photoelectric conversion efficiency (ηp) 1.68%, to reduce the electron / hole recombination rate, the open circuit voltage and short circuit current of the device can be increased.
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