Abstract
Numerical modeling of organic bulk heterojunction (BHJ) solar cells has been undertaken using the AMPS computer code and material parameters representative of the P3HT/PCBM cell. These simulations show that the V OC and thus the efficiency of these BHJs is currently controlled by interface recombination. These results show V OC tracks with the HOMO (D) − LUMO (A) difference with a relationship of the form V OC = V I + m[HOMO (D) − LUMO (A)], as is seen experimentally. The AMPS simulations show that the built-in potential and the contact barrier heights surprisingly do not affect V OC in these cells. These do, however, affect the cell fill factor FF and efficiency. If interface recombination is suppressed, then V OC values larger than HOMO (D) − LUMO(A) difference are possible since band bending must occur at the heterojunction to sustain the bulk and contact recombination that balances generation at open circuit. With interface recombination suppressed and contacts chosen for optimum FF, this modeling shows BHJs are capable of power conversion efficiencies of about 10% using material parameters corresponding to a P3HT/PCBM cell.
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