Solvent‐Induced Morphology in Polymer‐Based Systems for Organic Photovoltaics

Studies on the influence of four different solvents on the morphology and photovoltaic performance of bulk‐heterojunction films made of poly(3‐hexylthiophene) (P3HT) and [6,6]‐phenyl‐C₆₁ butyric acid methyl ester (PCBM) via spin‐coating for photovoltaic applications are reported. Solvent‐dependent PCBM cluster formation and P3HT crystallization during thermal annealing are investigated with optical microscopy and grazing‐incidence wide‐angle X‐ray scattering (GIWAXS) and are found to be insufficient to explain the differences in device performance. A combination of atomic force microscopy (AFM), X‐ray reflectivity (XRR), and grazing‐incidence small‐angle X‐ray scattering (GISAXS) investigations results in detailed knowledge of the inner film morphology of P3HT:PCBM films. Vertical and lateral phase separation occurs during spin‐coating and annealing, depending on the solvent used. The findings are summarized in schematics and compared with the IV characteristics. The main influence on the photovoltaic performance arises from the vertical material composition and the existence of lateral phase separation fitting to the exciton diffusion length. Absorption and photoluminescence measurements complement the structural analysis.     

Between-person comparison of metabolite fitting for NMR-based quantitative metabolomics

Nuclear magnetic resonance (NMR) spectroscopy is widely used as an analytical platform for metabolomics. Many studies make use of 1D spectra, which have the advantages of relative simplicity and rapid acquisition times. The spectral data can then be analyzed either with a chemometric workflow or by an initial deconvolution or fitting step to generate a list of identified metabolites and associated sample concentrations. Various software tools exist to simplify the fitting process, but at least for 1D spectra, this still requires a degree of skilled operator input. It is of critical importance that we know how much person-to-person variability affects the results, in order to be able to judge between different studies. Here we tested a commercially available software package (Chenomx' NMR Suite) for fitting metabolites to a set of NMR spectra of yeast extracts and compared the output of five different people for both metabolite identification and quantitation. An initial comparison showed good agreement for a restricted set of common metabolites with characteristic well-resolved resonances but wide divergence in the overall identities and number of compounds fitted; refitting according to an agreed set of metabolites and spectral processing approach increased the total number of metabolites fitted but did not dramatically increase the quality of the metabolites that could be fitted without prior knowledge about peak identity. Hence, robust peak assignments are required in advance of manual deconvolution, when the widest range of metabolites is desired. However, very low concentration metabolites still had high coefficients of variation even with shared information on peak assignment. Overall, the effect of the person was less than the experimental group (in this case, sampling method) for almost all of the metabolites.     

On the synchronization of traces

Trace theory has been developed to describe the behavior of concurrent systems. Synchronization of traces is of special interest for a modular approach. We characterize those trace monoids for which synchronization can be described locally.     

Technical and economical system comparison of photovoltaic and concentrating solar thermal power systems depending on annual global irradiation

Concentrating solar thermal power and photovoltaics are two major technologies for converting sunlight to electricity. Variations of the annual solar irradiation depending on the site influence their annual efficiency, specific output and electricity generation cost. Detailed technical and economical analyses performed with computer simulations point out differences of solar thermal parabolic trough power plants, non-tracked and two-axis-tracked PV systems. Therefore, 61 sites in Europe and North Africa covering a global annual irradiation range from 923 to 2438 kW h/m² a have been examined. Simulation results are usable irradiation by the systems, specific annual system output and levelled electricity cost. Cost assumptions are made for today's cost and expected cost in 10 years considering different progress ratios. This will lead to a cost reduction by 50% for PV systems and by 40% for solar thermal power plants. The simulation results show where are optimal regions for installing solar thermal trough and tracked PV systems in comparison to non-tracked PV. For low irradiation values the annual output of solar thermal systems is much lower than of PV systems. On the other hand, for high irradiations solar thermal systems provide the best-cost solution even when considering higher cost reduction factors for PV in the next decade. Electricity generation cost much below 10 Eurocents per kW h for solar thermal systems and about 12 Eurocents/kW h for PV can be expected in 10 years in North Africa.     

Effects of stochastic energy prices on long-term energy-economic scenarios

In view of the currently observed energy prices, recent price scenarios, which have been very moderate until 2004, also tend to favor high future energy prices. Having a large impact on energy-economic scenarios, we incorporate uncertain energy prices into an energy systems model by including a stochastic risk function. Energy systems models are frequently used to aid scenario analysis in energy-related studies. The impact of uncertain energy prices on the supply structures and the interaction with measures in the demand sectors is the focus of the present paper.

For the illustration of the methodological approach, scenarios for four EU countries are presented. Including the stochastic risk function, elements of high energy price scenarios can be found in scenarios with a moderate future development of energy prices. In contrast to scenarios with stochastic investment costs for a limited number of technologies, the inclusion of stochastic energy prices directly affects all parts of the energy system. Robust elements of hedging strategies include increasing utilization of domestic energy carriers, the use of CHP and district heat and the application of additional energy-saving measures in the end-use sectors. Region-specific technology portfolios, i.e., different hedging options, can cause growing energy exchange between the regions in comparison with the deterministic case.     

MooNMD – a program package based on mapped finite element methods

The basis of mapped finite element methods are reference elements where the components of a local finite element are defined. The local finite element on an arbitrary mesh cell will be given by a map from the reference mesh cell. This paper describes some concepts of the implementation of mapped finite element methods. From the definition of mapped finite elements, only local degrees of freedom are available. These local degrees of freedom have to be assigned to the global degrees of freedom which define the finite element space. We will present an algorithm which computes this assignment. The second part of the paper shows examples of algorithms which are implemented with the help of mapped finite elements. In particular, we explain how the evaluation of integrals and the transfer between arbitrary finite element spaces can be implemented easily and computed efficiently. Communicated by: M.S. Espedal, A. Quarteroni, A. Sequeira