Synthesis and photovoltaic properties of conjugated side chains polymers with different electron‐withdrawing and donating end groups

A series of novel low band gap polymers containing conjugated side chains with 4,7‐dithien‐5‐yl‐2,1,3‐benzodiathiazole and different electron‐withdrawing end groups of aldehyde ( PT‐DTBTCHO ), 2‐ethylhexyl cyanoacetate ( PT‐DTBTCN ), 1,3‐diethyl‐2‐thiobarbituric acid ( PT‐DTBTDT ), and electron‐donating end group of 2‐methylthiophene ( PT‐DTBTMT ) have been designed and synthesized. All polymers exhibit good solubility in common organic solvents, film‐forming ability, and thermal stability. These conjugated polymers show the broad ultraviolet‐visible absorption and the narrow optical band gaps in the range of 1.65–1.90 eV. Through changing the end group of conjugated side chains, the photophysical properties and energy levels of the polymers were tuned effectively. Bulk heterojunction solar cells based on the blend of these polymers and (6,6)‐phenyl‐C₆₁‐butyric acid methyl ester (PC₆₁BM) reached the best power conversion efficiency (PCE) of 2.72%. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012     

Assessing the Calibration of High-Dimensional Ensemble Forecasts Using Rank Histograms

Any decision-making process that relies on a probabilistic forecast of future events necessarily requires a calibrated forecast. This article proposes new methods for empirically assessing forecast calibration in a multivariate setting where the probabilistic forecast is given by an ensemble of equally probable forecast scenarios. Multivariate properties are mapped to a single dimension through a prerank function and the calibration is subsequently assessed visually through a histogram of the ranks of the observation’s preranks. Average ranking assigns a prerank based on the average univariate rank while band depth ranking employs the concept of functional band depth where the centrality of the observation within the forecast ensemble is assessed. Several simulation examples and a case study of temperature forecast trajectories at Berlin Tegel Airport in Germany demonstrate that both multivariate ranking methods can successfully detect various sources of miscalibration and scale efficiently to high-dimensional settings. Supplemental material in form of computer code is available online.     

Carbon dioxide adsorption studies on delafossite CuFeO2 hydrothermally synthesized

Delafossite CuFeO₂ oxide was synthesized by a hydrothermal technique using Cu₂O and FeOOH as precursors with the addition of fused NaOH as mineralizer. The amount of rhombohedral and hexagonal delafossite phase formed depends on the synthesis time lapses between 2 and 5 days and on the NaOH concentration. The compounds obtained were analyzed with Raman Spectroscopy, X-Ray Diffraction (XRD), X-Ray Photoelectron Spectroscopy (XPS), Scanning Electron Microscopy (SEM) and Energy Dispersive Spectroscopy (EDS) in order to obtain their morphological and structural properties. Optical behavior was studied by UV–vis Spectroscopy and gas adsorption measured with a Quartz-Crystal Microbalance (QCM). Our results show that this type of hydrothermal synthesis is capable of recreating the delafossite-type structure of copper-iron oxide and produces a high yield of material with the right stoichiometry. The highest uptake of carbon dioxide is observed on the sample with the highest ratio between rhombohedral and hexagonal delafossite phase.     

What can statistical process control show us about ionization chamber stability?

PurposeStatistical process control (SPC) has been shown to be a suitable tool for medical physicists to monitor quality and keep variability low and within specifications. We report our findings regarding ionisation chamber stability in our department when using a radioactive stability check device (RSCD) and we compare them with similar previously published records, including calibration results.MethodsWe retrospectively studied the stability of a PPC 40 parallel-plate chamber, and two Farmer chambers (FC65-G and FC65-P) by checking them with dedicated RSCDs. We analysed the data following SPC methodology which includes plotting I-MR control charts, monitoring out-of-control observations, calculating process capability ratios (C_p), and estimating conformance to specifications. We also estimated the C_p and adherence to specifications of previously published data.ResultsThe PPC40 chamber hardly went out of the control limits over the whole six-year period assessed. However, Farmer chamber verifications drifted in opposite directions in phase II, and the deviations observed did not agree with their calibration records, which only increased by a maximum of 0.5%. In phase I the most unstable chamber was the FC65-P with a C_p equal to 0.9 at a specification level of ±1%. The PPC40 chamber was stable to within a maximum C_p of 1.3. Several sets of analysed data, including ours and those from other authors, fitted well within these limits: within ±1.9% and ±1.5% for a C_p of 1.5 and 1.33 respectively.ConclusionsSPC with constant long-term RSCD checking gave us a meaningful plot of the instability of our ionisation chambers. Although a period of two years between calibrations should not be surpassed, in the interim this check can conform to specifications of ±1.5%.     

Wave propagation across a finite heterogeneous interphase modeled as an interface with material properties

Mechanical problems involving an interphase between two well-defined, and eventually different, materials are of interest. The aim of this paper is to present a simplified model that, for low frequency regime, is appropriate for this situation: an interface model with elastic and inertial properties. We present, together with the equations of motion, an identification procedure that is valid for any mass density profile along the thickness of the interphase. For evaluating the accuracy of the model, computations of the reflection coefficients in some relevant cases are shown. Besides, a finite element method is used as a benchmark for both the high and low frequency regimes. It is worth to be noted that the numerical test has been inspired by the problem of the interphase that is formed at the bone-implant boundary.     

Two-Step Structure Phase Transition,Dielectric Anomalies,and Thermochromic Luminescence Behavior in a Direct Band Gap 2D Corrugated Layer Lead Chloride Hybrid of [(CH3)4N]4Pb3Cl10

A direct band gap 2D corrugated layer lead chloride hybrid, [(CH₃)₄N]₄Pb₃Cl₁₀ ( 1 ), shows analogous topology to the {Mg₃F₁₀⁴⁻}_∞ layer in Cs₄Mg₃F₁₀, and with the (CH₃)₄N⁺ cations locating in the inorganic layer voids and between the interlayers. Two reversible structural phase transitions occur in 1 at 225/210 K and 328/325 K upon heating/cooling, respectively. On going from the low- to intermediate-temperature phase, the space group changes from P2₁/c to Cmca, and the crystallographic axis perpendicular to the layers is doubled with the order–disorder transformation of (CH₃)₄N ⁺ cations between the interlayers. The intermediate- and high-temperature phases are isomorphic with similar cell parameters and packing structure; their main difference concerns the disorder degree of the (CH₃)₄N ⁺ cations between the interlayers. The two-step structural phase transitions lead to dielectric anomalies around the corresponding T_c. Interestingly, 1 shows multiband emission, originating from the recombination of exciton and emission of defects. Moreover, 1 exhibits divergent thermochromic luminescent features around the T_c on the intermediate to low temperature transition.     

Tuning of Photonic band gap via combined effect of electric and optical fields in a blue phase liquid crystal composite

ABSTRACT

Blue phase liquid crystals are soft 3D photonic crystals in which the liquid crystal molecules self-assemble to form a cubic structure with lattice spacing of a few hundred nanometers resulting in selective reflection of colours in the visible spectrum. The corresponding wavelength or the ‘photonic band gap’ can be tuned using various external stimuli such as thermal, electric, magnetic and optical fields. Here, we report efficient tuning of photonic band gap by utilising the combination of electric and optical fields in a blue phase liquid crystalline system. The studies indicate that the chirality of the medium has a direct bearing on the direction of the wavelength shift and the extent of the photonic band gap tunability. More importantly, the synergistic effect of the two fields helps in reversible tuning of the band gap.     

Structural and luminescence characteristics of CuAlxIn1−xSe2 (0 < x ≤ 0.30) chalcopyrite solid solutions

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