The effects of junction interdiffusion and misfit dislocations on the efficiency of highly mismatched heterojunction photovoltaic devices

A general modelling methodology has been developed to evaluate the effects of chemical interdiffusion and misfit dislocations on the performance of heterojunction solar cells made from highly mismatched materials. Results for the exemplar materials system CdS-CdTe are contrary to the widely held belief that such interdiffusion is beneficial to photovoltaic performance. In the model, recombination is presumed to take place at the cores of misfit dislocations, with the distribution of these dislocations in the interdiffused layer being calculated so as to minimise the total energy (an incidental result shows that the total number of dislocations is independent of the diffusion profile). The model takes calculated chemical profiles, optical absorption, and dislocation distributions from which the photovoltaic performance and recombination losses are evaluated. It was shown that for the realistic case in which the interdiffused region does not extend beyond the space charge region, the photovoltage losses dominate over any photocurrent gains. Methods to engineer mixed junctions that may increase solar conversion efficiency are discussed.