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We use a Monte Carlo model to predict the effect of composition, domain size, and energetic disorder upon the mobility of carriers in an organic donor-acceptor blend. These simulations show that, for the changes in local morphology expected within the thickness of a typical bulk heterojunction photovoltaic device, changes in mobility of more than an order of magnitude are expected. The impact of nonuniform mobility upon space-charge-limited diode and photovoltaic (PV) device performance is examined using a drift-diffusion model. The current passing through a space-charge-limited diode is shown to depend upon the position of the layers with differing mobility. Accurate modeling of the current in such devices can only be achieved using a drift-diffusion model incorporating nonuniform mobility. Inserting a 20 nm thick layer in which the mobility is less by one order of magnitude than in the rest of the 70 nm thick PV device reduced the device efficiency by more than 20%. Therefore it seems vital to exert a high degree of control over the morphology throughout the entire blend PV device, otherwise potential PV performance may be lost. [ABSTRACT FROM AUTHOR]

A Monte Carlo model is used to examine geminate pair dissociation in polymer-polymer photovoltaic devices. It is found that increasing one or both carrier mobilities aids geminate separation yield ηGS particularly at low fields. This, in turn, leads to improved maximum power output from polymer-polymer blend photovoltaics, even when carrier mobilities are unbalanced by a factor of 10. The dynamic behaviors of geminate charges that eventually separate and recombine are examined for the first time. It is shown that geminate pairs in a bilayer become effectively free when separated by ∼4 nm, which is far smaller than the thermal capture radius of 16 nm here. This may lead one to expect that ηGS would not be limited by the separation allowed by the morphology once the domain size has increased above 4 nm. In fact it is found that ηGS in a blend improves continuously as the average domain size increases from 4 to 16 nm. We show that although a small degree of separation may be available in a blend, the limited number of possible routes to further separation makes charge pairs in blends more susceptible to recombination than charge pairs in a bilayer. [ABSTRACT FROM AUTHOR]

We present a Monte Carlo model of carrier separation and recombination in nanostructured organic photovoltaic (OPV) devices which takes into account all electrostatic interactions, energetic disorder, and polaronic effects. This permits a detailed analysis of the strong morphology dependence of carrier collection efficiency. We find that performance is determined both by the orientation of the heterojunction relative to the external electric field as well as by carrier confinement due to polymer intermixing. The model predicts that an idealized interdigitated structure could achieve overall efficiencies twice as high as blends. The model also reproduces the weakly sublinear intensity dependence of short-circuit photocurrent (ISC) seen in experiment. We show that this is not the result of space-charge effects but of bimolecular recombination. Disconnected islands of polymer in coarser blends result in bimolecular recombination even at low intensities and should therefore be minimized. By including a microscopic description of dark injection, the model can describe the full current-voltage (J-V) characteristics of different OPV structures. We examine the effect of morphology, intensity, mobility, and recombination rate on key parameters such as short-circuit current, open-circuit voltage (VOC), and fill factor (FF). The model reproduces the intensity-dependent contribution to VOC in a bilayer above that of a blend observed in experiment. We find that performance in both bilayers and blends is very sensitive to the recombination rate across the heterojunction. The model also predicts a striking dependence of performance on mobility. Indeed it is shown that a tenfold increase in mobility dramatically improves ISC and FF and doubles the maximum power output in a bilayer device. As well as informing routes for improving device performance, the model also offers an improved microscopic understanding of OPV operation. [ABSTRACT FROM AUTHOR]

A simple Monte Carlo model is used to simulate the avalanche process in a multiplication region which incorporates a heterojunction, intended to introduce localization into the ionization process and reduce excess avalanche noise. The results are compared with those of models where the ionization path length distribution is represented by an exponential decay, displaced from the origin by a ballistic dead space. While the latter results depend sensitively on the arbitrary choice of scheme used to evaluate the model parameters, they agree remarkably well with Monte Carlo, considering the simplicity of the model. © 2004 American Institute of Physics. [ABSTRACT FROM AUTHOR]

Avalanche breakdown voltage has been measured in a series of AlxGa1-xAs (0