MOCVD grown MWIR HgCdTe detectors for high operation temperature conditions

The paper reports on photoelectrical performance of the mid-wave infrared HgCdTe detector for high operating temperature condition. Detector structure was simulated with APSYS numerical platform by Crosslight Inc. The comprehensive analysis of the detector performance such as dark current, detectivity, time response vs. device architecture and applied bias has been performed. The N⁺pP⁺n⁺ HgCdTe heterostructure photodiode operating in room temperature at a wavelength range of 2.6–3.6 μm enabled to reach: detectivity ～8.7×10¹⁰ cmHz^1/2/W, responsivity ～1.72 A/W and time response ～ 145 ps (V = 200 mV).     

Isolation and characterization of conformational isomers of N,N′‐bis(3,5‐dichlorosalicylidene)‐2,2′‐ethylenedianiline: crystal structure,photoluminescence, and density functional theory calculation

We have isolated two isomeric solids 1 and 2 of N,N′‐bis(3,5‐dichlorosalicylidene)‐2,2′‐ethylenedianiline and characterized by IR, UV/Vis, X‐ray powder diffraction, thermogravimetric analysis/differential thermal analysis, and X‐ray crystallography. Although the solids are same formulas, each shows different colors and crystal structures. Orange solid ( 1 ) shows endo conformation while yellow solid ( 2 ) exhibits exo form depending on packing modes. UV/Vis spectra of 1 and 2 appear very similar patterns in the solid state; however, the bands of 1 are slightly red‐shifted compared with those of 2 . 1 displays a strong fluorescent emission band at ~582 nm while 2 shows an intense fluorescent signal at ~563 nm. The charge density populations of 1 and 2 have been studied by computational simulations using density functional theory at pbe1pbe/6‐311G** level. The calculated highest occupied molecular orbital and lowest unoccupied molecular orbital energies of 1 and 2 confirm that charge transfer occurs within the organic molecules. The energy difference of HOMO‐LUMO in 1 is smaller slightly than that of 2 about 0.05 eV (~17 nm). Copyright © 2014 John Wiley & Sons, Ltd.     

Synthesis,Characterization, and Directional Binding of Anisotropic Biohybrid Microparticles for Multiplexed Biosensing

Anisotropic microarchitectures with different physicochemical properties have been developed as advanced materials for challenging industrial and biomedical applications including switchable displays, multiplexed biosensors and bioassays, spatially‐controlled drug delivery systems, and tissue engineering scaffolds. In this study, anisotropic biohybrid microparticles (MPs) spatio‐selectively conjugated with two different antibodies (Abs) are first developed for fluorescence‐based, multiplexed sensing of biological molecules. Poly(acrylamide‐co‐acrylic acid) is chemically modified with maleimide‐ or acetylene groups to introduce different targeting biological moieties into each compartment of anisotropic MPs. Modified polymer solutions containing two different fluorescent dyes are separately used for electrohydrodynamic co‐jetting with side‐by‐side needle geometry. The anisotropic MPs are chemically stabilized by thermal imidization, followed by bioconjugation of two different sets of polyclonal Abs with two individual compartments via maleimide‐thiol coupling reaction and Huisgen 1,3‐dipolar cycloaddition. Finally, two compartments of the anisotropic biohybrid MPs are spatio‐selectively associated with the respective monoclonal Ab‐immobilized substrate in the presence of the antigen by sandwich‐type immunocomplex formation, resulting in their ordered orientation due to the spatio‐specific molecular interaction, as confirmed by confocal laser scanning microscopy. In conclusion, anisotropic biohybrid MPs capable of directional binding have great potential as a new fluorescence‐based multiplexing biosensing system.

     

Synthesis of the Copolymer Based on Diketopyrrolopyrrole with Didecyl Chain for OPVs

A new accepter unit, diphenylpyrrolo[3,2-b]pyrrole-2,5-dione with didecyl chain, was prepared and utilized for the synthesis of the conjugated polymer containing electron donor-acceptor pair for OPVs. The iDPP, part of the structure of a natural dye found in lichens, is the regioisomer of the known DPP with switched position of the carbonyl group and nitrogen atom. At the 4-positions of the N-substituted phenyl groups of 1,4-bis(4-butylphenyl)-pyrrolo[3,2-b]-pyrrole-2,5-dione unit in P-butyl, the butyl group was substituted with decyl group to increase solubility. The absorption spectrum of polymer with diphenylpyrrolo[3,2-b]pyrrole-2,5-dione unit exhibit two maximum peaks at about 365 and 542 nm. The spectrum of the P1 as the solid thin film shows absorption band with maximum peaks at 370 and 536 nm, and the absorption onset at 703 nm, corresponding to band gap of 1.76 eV. The oxidation and reduction potential onset of the synthesized polymer were estimated to be 0.84 and ?1.22 V, which correspond to HOMO and LUMO energy levels of ?5.64 and ?3.58 eV, respectively. The devices comprising P1 with PC₆₁BM annealed at 100°C showed a V_OC of 0.79 V, a J_SC of 1.75 mA/cm², and a FF of 0.31, leading to the power conversion efficiency of 0.43% under white light illumination (AM 1.5 G, 100 mW/cm²).     

On Modules Over Group Rings

Let M be a right module over a ring R and let G be a group. The set MG of all formal finite sums of the form ∑? _g?∈?G m _g g where m _g ?∈?M becomes a right module over the group ring RG under addition and scalar multiplication similar to the addition and multiplication of a group ring. In this paper, we study basic properties of the RG-module MG, and characterize module properties of (MG) _RG in terms of properties of M _R and G. Particularly, we prove the module-theoretic versions of several well-known results on group rings, including Maschke’s Theorem and the classical characterizations of right self-injective group rings and of von Neumann regular group rings.     

New ultrahigh affinity host-guest complexes of cucurbit[7]uril with bicyclo[2.2.2]octane and adamantane guests: thermodynamic analysis and evaluation of M2 affinity calculations

A dicationic ferrocene derivative has previously been shown to bind cucurbit[7]uril (CB[7]) in water with ultrahigh affinity (ΔG(o) = -21 kcal/mol). Here, we describe new compounds that bind aqueous CB[7] equally well, validating our prior suggestion that they, too, would be ultrahigh affinity CB[7] guests. The present guests, which are based upon either a bicyclo[2.2.2]octane or adamantane core, have no metal atoms, so these results also confirm that the remarkably high affinities of the ferrocene-based guest need not be attributed to metal-specific interactions. Because we used the M2 method to compute the affinities of several of the new host-guest systems prior to synthesizing them, the present results also provide for the first blinded evaluation of this computational method. The blinded calculations agree reasonably well with experiment and successfully reproduce the observation that the new adamantane-based guests achieve extremely high affinities, despite the fact that they position a cationic substituent at only one electronegative portal of the CB[7] host. However, there are also significant deviations from experiment, and these lead to the correction of a procedural error and an instructive evaluation of the sensitivity of the calculations to physically reasonable variations in molecular energy parameters. The new experimental and computational results presented here bear on the physical mechanisms of molecular recognition, the accuracy of the M2 method, and the usefulness of host-guest systems as test-beds for computational methods.     

Thiocyanate-capped nanocrystal colloids: vibrational reporter of surface chemistry and solution-based route to enhanced coupling in nanocrystal solids

Ammonium thiocyanate (NH(4)SCN) is introduced to exchange the long, insulating ligands used in colloidal nanocrystal (NC) synthesis. The short, air-stable, environmentally benign thiocyanate ligand electrostatically stabilizes a variety of semiconductor and metallic NCs in polar solvents, allowing solution-based deposition of NCs into thin-film NC solids. NH(4)SCN is also effective in replacing ligands on NCs after their assembly into the solid state. The spectroscopic properties of this ligand provide unprecedented insight into the chemical and electronic nature of the surface of the NCs. Spectra indicate that the thiocyanate binds to metal sites on the NC surface and is sensitive to atom type and NC surface charge. The short, thiocyanate ligand gives rise to significantly enhanced electronic coupling between NCs as evidenced by large bathochromic shifts in the absorption spectra of CdSe and CdTe NC thin films and by conductivities as high as (2 ± 0.7) × 10(3) Ω(-1) cm(-1) for Au NC thin films deposited from solution. NH(4)SCN treatment of PbTe NC films increases the conductivity by 10(13), allowing the first Hall measurements of nonsintered NC solids, with Hall effect mobilities of 2.8 ± 0.7 cm(2)/(V·s). Thiocyanate-capped CdSe NC thin films form photodetectors exhibiting sensitive photoconductivity of 10(-5) Ω(-1) cm(-1) under 30 mW/cm(2) of 488 nm illumination with I(photo)/I(dark) > 10(3) and form n-channel thin-film transistors with electron mobilities of 1.5 ± 0.7 cm(2)/(V·s), a current modulation of >10(6), and a subthreshold swing of 0.73 V/decade.     

Size distribution of folded chain crystal nuclei of polyethylene on active centers

Kinetic equations describing temporal evolution of the size distribution of crystalline nuclei of folded chain polyethylene on active centers are solved numerically. Basic characteristics of nucleation processes (the total number of supercritical nuclei and the size distribution of nuclei) are determined and compared with the experimental data. It is shown that even though the total number of supercritical nuclei coincides with the experimental data, the size distribution prediction fails. This is caused by the fact that the total number of nuclei (usually used in analysis of the experimental data), in contrast to the size distribution of nuclei, represents an integral quantity. Using the experimental data of the steady state size distribution of nuclei enables us to determine thermodynamic parameters (especially interfacial energies) of the studied system more precisely and consequently to correct kinetic parameters to get coincidence of kinetic model with the experimental data in both, the total number of supercritical nuclei and also the size distribution of nuclei.     

Photoelectron spectroscopic studies of 5-halouracil anions

The parent negative ions of 5-chlorouracil, UCl(-) and 5-fluorouracil, UF(-) have been studied using anion photoelectron spectroscopy in order to investigate the electrophilic properties of their corresponding neutral halouracils. The vertical detachment energies (VDE) of these anions and the adiabatic electron affinities (EA) of their neutral molecular counterparts are reported. These results are in good agreement with the results of previously published theoretical calculations. The VDE values for both UCl(-) and UF(-) and the EA values for their neutral molecular counterparts are much greater than the corresponding values for both anionic and neutral forms of canonical uracil and thymine. These results are consistent with the observation that DNA is more sensitive to radiation damage when thymine is replaced by halouracil. While we also attempted to prepare the parent anion of 5-bromouracil, UBr(-), we did not observe it, the mass spectrum exhibiting only Br(-) fragments, i.e., 5-bromouracil apparently underwent dissociative electron attachment. This observation is consistent with a previous assessment, suggesting that 5-bromouracil is the best radio-sensitizer among these three halo-nucleobases.     

Predictive modeling and analysis of HfO2 thin film process based on Bayesian information criterion using PCA‐based neural networks

Principal component analysis (PCA)‐based neural network (NNet) models of HfO₂ thin films are used to study the process of efficient model selection and develop an improved model by using multivariate functional data such as X‐ray diffraction data (XRD). The accumulation capacitance and the hysteresis index input parameters, both characteristic of HfO₂ dielectric films, were selected for the inclusion in the model by analyzing the process conditions. Standardized XRD were used to analyze the characteristic variations for different process conditions; the responses and the electrical properties were predicted by NNet modeling using crystallinity‐based measurement data. A Bayesian information criterion (BIC) was used to compare the model efficiency and to select an improved model for response prediction. Two conclusions summarize the results of the research documented in this paper: (i) physical or material properties can be predicted by the PCA‐based NNet model using large‐dimension data, and (ii) BIC can be used for the selection and evaluation of predictive models in semiconductor manufacturing processes. Copyright © 2013 John Wiley & Sons, Ltd.