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The fullerene derivative [6,6]-phenyl-C-61-butyric acid methyl ester plays a key role for electron transport in polymer solar cells. We have studied the unoccupied molecular orbitals of PCBM by near edge X-ray absorption fine structure spectroscopy and were able to assign the main resonances to molecular moieties by comparison with calculated sum spectra of individual carbons. We analyzed specifically the origin of the high-energy shoulder to the first pi*-resonance and identified contributions from the lowest-energy transition of a specific carbon in the phenyl and from transitions to higher unoccupied orbitals of the unmodified carbons in the C-60-cage.

The reactions of coronene dehydrogenation and fusion upon heat treatment in the temperature range of 500-700 degrees C were studied using XRD, TEM, Raman, IR, and NEXAFS spectroscopy. The formation of a coronene dimer (dicoronylene) was observed at temperatures 530-550 degrees C; dicoronylene can easily be separated using sublimation with a temperature gradient. An insoluble and not sublimable black precipitate was found to form at higher temperatures. Analysis of the data shows that dimerization of coronene is followed at 550-600 degrees C by oligomerization into larger molecules. Above 600 degrees C amorphization of the material and formation of graphitic nanoparticles was observed. Coronene fusion by annealing is proposed as a road to synthesis of larger polycyclic aromatic hydrocarbons and nanographenes.

A database has been compiled with the levels of important contaminants (mycotoxins, heavy metals and pesticides) measured from 2002 to 2005 in winter wheat (Triticum aestivum) grown in Belgium according to the organic and conventional farming systems. Assuming no further change in contaminant levels during cereal processing and during the preparation of foodstuffs, conservative intakes are estimated for the consumers of cereal-based products such as flour, bread, breakfast cereals, dough and pastry. The results show that for the consumer of organic foodstuffs, estimated daily intakes are 0.56 mu g cleoxynivalenol (DON), 0.03 mu g zearalenone (ZEA), 0.19 mu g Cd, 0.28 mu g Pb and 0.0006 mu g Hg kg(-1) body weight, taking into account the average contaminant levels in unprocessed grains and the average cereal products consumptions in Belgium. For the consumers of conventional foodstuffs, the corresponding estimated daily intakes are 0.99 mu g DON, 0.06 mu g ZEA, 0.17 mu g Cd, 0. 12 mu g Pb and 0.0007 mu g Hg kg(-1) body weight. In addition, it appears that for the consumers of conventional products, intakes of some post-harvest insecticides have to be taken into account (0. 11 mu g chlorpyriphos-methyl, 0.2 mu g clichlorvos and 0.24 mu g pirimiphos-methyl kg(-1) bw). When expressed as a percentage of the tolerable/acceptable daily intake (TDI/ADI), it seems that the corresponding estimated (conservative) intakes are the highest for DON (56% for organic and 99% for conventional cereal products), ZEA (16% for organic and 32% for conventional cereal products), and Cd (19% for organic and 17% for conventional cereal products), all other estimated intakes of contaminants (including pesticides) being lower than 10% of the TDI/ADI.

Estimations of ochratoxin A (OTA) and 4-deoxynivalenol (DON) exposure of the Belgian population through beer consumption were made using the results of the recent Belgian food survey and the compiled data set of OTA and DON levels in conventionally and organically produced beers in 2003-05. For the consumers of organic beers, the daily intake of OTA was 0.86 (in 2003), 1.76 (in 2004) and 0.72 (in 2005) ng kg(-1) body weight (bw), considering the mean beer consumption (0.638 litres) and the average level of OTA in 2003, 2004 and 2005, respectively. Using the 97.5th percentile of beer consumption (1.972 litres), the corresponding OTA daily intakes were 2.65, 5.44 and 2.24 ng kg(-1) bw, which are close or above the tolerable daily intake (TDI) of 5 ng kg(-1) bw. For the consumers of conventional beers, the OTA intakes were low: 0.23, 0.23 and 0.11 ng kg(-1) bw day(-1) for the average beer consumption, in 2003, 2004 and 2005 against 0.72, 0.73 and 0.34 ng kg(-1) bw day(-1) when the 97.5th percentile level was considered. As for the DON intake, the estimates were quite low for both conventional and organic beer consumers when the provisional maximum TDI (PMTDI) of 1 mu g kg(-1) bw was considered. Average consumption of organic beer led to daily intakes of 0.05 and 0.04 mu g DON kg(-1) bw in 2003 and 2004, respectively, whilst for conventional beer, daily intakes were 0.07 and 0.05 mu g DON kg(-1) bw. At the 97.5th percentile level of beer consumption, daily intakes of 0.15 and 0.13 mu g kg(-1) bw were obtained for organic beers against 0.23 and 0.17 mu g kg(-1) bw for conventional ones. The results showed that beer could be an important contributor to OTA exposure in Belgium, even though a declining trend seems to be apparent during the last year of monitoring. Therefore, efforts should be devoted to maintain the OTA levels as low as reasonably achievable, especially for organic beer.

The influence of the solvent on the morphology and performance of polymer solar cells is investigated in devices based on blends of the polyfluorene copolymer, poly(2,7-(9,9-dioctyl-fluorene)-alt-5,5-(4',7'-di-2- thienyl-2',1',3'-benzothiadiazole)), and [6,6]-phenyl-C 61-: -butyric acid methyl ester. The blends are spin-coated from chloroform or from chloroform mixed with small amounts of xylene, toluene, or chlorobenzene. The devices are characterized under monochromatic light and solar illumination AM1.5 (AM: air mass). An enhancement of the photocurrent density is observed in diodes made from chloroform mixed with chlorobenzene, and reduced photocurrent density is observed in diodes made from chloroform mixed with xylene or toluene, compared to diodes made from neat chloroform. The open-circuit voltages are almost the same in all diodes. The surfaces of the active layers are imaged using atomic force microscopy. Height images indicate that a finer and more uniform distribution of domains corresponds to the diodes with enhanced photocurrent that are made from chloroform mixed with chlorobenzene, while a structure with larger domains is associated with the lower photocurrents in the diodes made from chloroform mixed with xylene or toluene. The influence of the morphology on the excited-state dynamics and charge generation is investigated using time-resolved spectroscopy. Fast formation of bound charge pairs followed by their conversion into free charge carriers is resolved, and excitation-intensity-dependent non-geminate recombination of free charges is observed. A significant enhancement in free-charge-carrier generation is observed on introducing chlorobenzene into chloroform. Imaging photocurrent generation from the solar cells with a light-pulse technique shows an inhomogeneous photocurrent distribution, which is related to the undulations in the thickness of the active layer. Thicker parts of the diodes yield higher photocurrent values. © 2006 WILEY-VCH Verlag

We report a comparison of the work functions of thin films of indium tin oxide (ITO), carried out by means of ultraviolet photoelectron spectroscopy (UPS) and by measurements of the contact potential difference with respect to a gold reference electrode (Kelvin probe (KP) method). We investigated commercially available ITOs both 'as-received', and after certain surface treatments, such as oxygen plasma. First, we find measurable discrepancies between KP values measured with three different instruments, and between the KP and the UPS values. Secondly, and unexpectedly, we find that the KP, although more sensitive than UPS, does not detect certain differences between ITOs with different surface treatments. We discuss the results in view of the different environments in which the measurements are carried out (UHV for the UPS and air/Ar for the Kelvin method), of the effects which may be induced by the high-energy photon irradiation in the UPS measurement, and of the stability of the gold probe work function in gas ambient. We conclude that UPS is better-suited for absolute work function determination, although KP remains a convenient and inexpensive tool for fast screening of contact potential differences.