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We present a dynamic Monte Carlo (DMC) study of s-shaped current-voltage (I-V) behaviour in organic solar cells. This anomalous behaviour causes a substantial decrease in fill factor and thus power conversion efficiency. We show that this s-shaped behaviour is induced by charge traps that are located at the electrode interface rather than in the bulk of the active layer, and that the anomaly becomes more pronounced with increasing trap depth or density. Furthermore, the s-shape anomaly is correlated with interface recombination, but not bulk recombination, thus highlighting the importance of controlling the electrode interface. While thermal annealing is known to remove the s-shape anomaly, the reason has been not clear, since these treatments induce multiple simultaneous changes to the organic solar cell structure. The DMC modelling indicates that it is the removal of aluminium clusters at the electrode, which act as charge traps, that removes the anomalous I-V behaviour. Finally, this work shows that the s-shape becomes less pronounced with increasing electron-hole recombination rate; suggesting that efficient organic photovoltaic material systems are more susceptible to these electrode interface effects. [ABSTRACT FROM AUTHOR]

The impact of a calcium interface layer in combination with a thermal annealing treatment on the performance of poly(3-hexylthiophene) (P3HT):[6,6]-phenyl-C61-buteric acid methylester (PCBM) nanoparticle photovoltaic devices is investigated. Annealing is found to disrupt the microstructure of the nanoparticle active layer leading to a reduction in fill factor. However, X-ray photoelectron spectroscopy measurements show that the calcium interface layer causes PCBM to preferentially migrate to the cathode interface upon annealing, resulting in better charge extraction from the PCBM moiety, an increase in the built-in voltage, open-circuit voltage, and power conversion efficiency. Moreover, the annealing trends could be completely explained by the observed PCBM migration. Unlike P3HT:PCBM bulk heterojunction devices, the P3HT:PCBM nanoparticle devices showed a remarkable thermal stability up to 120 °C. As such, OPVs fabricated from aqueous nanoparticle inks provide an attractive alternative to conventional organic solvent based bulk heterojunction devices. [ABSTRACT FROM AUTHOR]

Using atom beams to image the surface of samples in real space is an emerging technique that delivers unique contrast from delicate samples. Here, we explore the contrast that arises from multiple scattering of helium atoms, a specific process that plays an important role in forming topographic contrast in scanning helium microscopy (SHeM) images. A test sample consisting of a series of trenches of varying depths was prepared by ion beam milling. SHeM images of shallow trenches (depth/width < 1) exhibited the established contrast associated with masking of the illuminating atom beam. The size of the masks was used to estimate the trench depths and showed good agreement with the known values. In contrast, deep trenches (depth/width > 1) exhibited an enhanced intensity. The scattered helium signal was modeled analytically and simulated numerically using Monte Carlo ray tracing. Both approaches gave excellent agreement with the experimental data and confirmed that the enhancement was due to localization of scattered helium atoms due to multiple scattering. The results were used to interpret SHeM images of a bio-technologically relevant sample with a deep porous structure, highlighting the relevance of multiple scattering in SHeM image interpretation. [ABSTRACT FROM AUTHOR]

Förster resonance energy transfer theory (FRET) and a simple random walk (RW) are both implemented in a dynamic Monte Carlo simulation with the aim of determining the exciton diffusion length from photoluminescence (PL) measurements. The calculated diffusion lengths obtained from both models are shown to be the same. As such, given that the computational time of a random walk is typically 2-3 orders of magnitude smaller than the FRET approach, this work shows that the RW methodology can be a preferable model for the determination of diffusion lengths. We also show that the RW approach may also be implemented in Monte Carlo simulations that describe organic solar cells. Despite the fact that (compared with FRET) RW does not account for non-nearest neighbor hopping or energy relaxation, we show that the resulting overestimation of the simulated current will not exceed 2% for typical OPV parameters. In addition, by taking advantage of the gain in speed we are able to investigate the impact of the exciton diffusion length on the optimal interface distance and show that materials with longer exciton diffusion lengths are less sensitive to variations in the morphology of the active layer of an organic solar cell. [ABSTRACT FROM AUTHOR]

The photochemistry of poly{p-phenylene[1-(tetrahydrothiophen-1-io)ethylene chloride]} (PPTEC), a water soluble precursor of the semiconducting polymer, poly{p-phenylenevinylene} (PPV), has been studied both under atmospheric conditions and in environments devoid of oxygen. UV-visible spectroscopy and photoluminescence data has been used to provide a picture of the mechanistic pathways involved in UV irradiation of the PPTEC material. A new quantitative model for the effect of UV irradiation upon film morphology is presented, which leads to insights for the improved control of the characteristics of PPV nanostructures produced via near-field scanning optical lithography. [ABSTRACT FROM AUTHOR]

The dimensional dependence of micron-sized current inhomogeneities in poly[2-methoxy-5-(2′-ehtylhexyloxy)-1,4-phenylene vinylene]/1-(3-methoxycarbonyl)-propyl-1-1-phenyl-(6,6) C61 (MEH-PPV/PCBM) solar cells on processing conditions has been investigated. These current inhomogeneities typically consist of a central PCBM aggregate surrounded by a larger region of poor photocurrent production. For films spin coated from chlorobenzene, both the diameter of the current inhomogeneities and the size of the corresponding PCBM aggregates systematically increase with the time allowed for the film to dry. These observations indicate that the current inhomogeneities are a consequence of the nucleation and growth of the central PCBM cluster at the expense of PCBM from the surrounding area. In contrast to the results observed with chlorobenzene as the solvent, no micron-sized current inhomogeneities are observed using toluene as the solvent, despite the increased density of PCBM clusters in the film. The solubility of PCBM and the solvent volatility are identified as key parameters determining the formation of micron-sized current patterns. Also discussed is the influence of these current features on overall device performance, along with the influence of the film nanomorphology as processing conditions are changed. [ABSTRACT FROM AUTHOR]

A simple design for an inexpensive, cooled, free-jet beam source is described. The source assembly features an integrated cooling system as supplied by a counter-flow of chilled nitrogen, and is composed primarily of off-the-shelf tube fittings. The design facilitates rapid implementation and eases subsequent alignment with respect to any downstream beamline aperture. The source assembly outlined cools the full length of the stagnation volume, offering temperature control down to 100 K and long-term temperature stability better than ± 1 K. [ABSTRACT FROM AUTHOR]

The effect of device architecture upon the response of printable enzymatic glucose sensors based on poly(3-hexythiophene) (P3HT) organic thin film transistors is presented. The change in drain current is used as the basis for glucose detection and we show that significant improvements in drain current response time can be achieved by modifying the design of the sensor structure. In particular, we show that eliminating the dielectric layer and reducing the thickness of the active layer reduce the device response time considerably. The results are in good agreement with a diffusion based model of device operation, where an initial rapid dedoping process is followed by a slower doping of the P3HT layer from protons that are enzymatically generated by glucose oxidase (GOX) at the Nafion gate electrode. The fitted diffusion data are consistent with a P3HT doping region that is close to the source-drain electrodes rather than located at the P3HT:[Nafion:GOX] interface. Finally, we demonstrate that further improvements in sensor structure and morphology can be achieved by inkjet-printing the GOX layer, offering a pathway to low-cost printed biosensors for the detection of glucose in saliva. [ABSTRACT FROM AUTHOR]

We present a scanning helium microscope equipped to make use of the unique contrast mechanisms, surface sensitivity, and zero damage imaging the technique affords. The new design delivers an order of magnitude increase in the available helium signal, yielding a higher contrast and signal-to-noise ratio. These improvements allow the microscope to produce high quality, intuitive images of samples using topological contrast, while setting the stage for investigations into further contrast mechanisms. [ABSTRACT FROM AUTHOR]

We describe the development of a glucose sensor through direct incorporation of an enzyme (glucose oxidase) into the gate of an organic thin film transistor (OTFT). We show that glucose diffusion is the key determinant of the device response time and present a mechanism of glucose sensing in these devices that involves protonic doping of the transistor channel via enzymatic oxidation of glucose. The integrated OTFT sensor is sensitive across 4 decades of glucose concentration; a range that encompasses both the blood and salivary glucose concentration levels. As such, this work acts as a proof-of-concept for low-cost printed biosensors for salivary glucose. [ABSTRACT FROM AUTHOR]

Water-based nanoparticle (NP) organic solar cells eliminate the need for harmful organic solvents during deposition. However, the core-shell NP structure should limit charge extraction resulting in poor performance. Here, we use dynamic Monte Carlo modelling to show that for optimised NP structures the core-shell character does not severely limit performance. Simulations further reveal that small NPs are more susceptible to extensive phase segregation, which diminishes charge carrier percolation pathways from the cores to the electrodes and thus inhibits charge extraction. Simulated performance behaviour was used to propose an explanation for the experimentally observed change in performance due to annealing. [ABSTRACT FROM AUTHOR]

Monte Carlo (MC) simulations have been used to fully model organic solar cells. The quantum efficiency and short-circuit current of these virtual devices are in excellent agreement with experimental measurements. Simulations show that, contrary to expectation, indium tin oxide/poly(3,4-ethylenedioxythiophene) poly(styrenesulfonate)/poly(3-hexylthiophene):[6,6]-phenyl-C61-butyric acid methylester (PCBM)/aluminium devices lack effective charge blocking layers at the electrode interfaces. X-ray photoelectron spectroscopy depth profiling shows that despite a PCBM-rich region near the cathode, interface intermixing at the electrodes combined with incomplete PCBM coverage leads to significant interface recombination. This work highlights the effectiveness of MC simulations as a predictive tool and emphasizes the need to control electrode interface processes. [ABSTRACT FROM AUTHOR]

A correction to the article "Investigation of the photochemistry of the poly {ρ-phenylenevinylene} precursor system: Implications for nanolithography" that was published in the January 29, 2008 issue is presented.