Combined host–guest doping and host-free systems for high-efficiency white organic light-emitting devices

Highly efficient white organic light-emitting devices (WOLEDs) with a four-layer structure were realized by utilizing phosphorescent blue and yellow emitters. The key concept of device construction is to combine host–guest doping system of the blue emitting layer (EML) and the host-free system of yellow EML. Two kinds of WOLEDs incorporated with distinct host materials, namely N,N'-dicarbazolyl-3,5-benzene (mCP) and p-bis(triphenylsilyly)benzene (UGH2), were fabricated. Without using light out-coupling technology, a maximum current efficiency (η_C) of 58.8 cd/A and a maximum external quantum efficiency (η_EQE) of 18.77% were obtained for the mCP-based WOLED; while a maximum η_C of 65.3 cd/A and a maximum η_EQE of 19.04% were achieved for the UGH2-based WOLED. Meanwhile, both WOLEDs presented higher performance than that of conventionally full-doping WOLEDs. Furthermore, systematic studies of the high-efficiency WOLEDs were progressed.     

Detection and classification of host–guest interactions using β-cyclodextrin-decorated carbon nanotube-based chemiresistors

Carbon nanotubes (CNTs) in a chemiresistor setup have been widely explored in bio/chemical sensing. Detection of certain molecules with environmental and health related importance such as 9-anthracenecarboxylic acid, diclofenac sodium, and curcumin using electrochemical methods/unfunctionalized CNTs suffer from lack of response, high limit of detection (LOD) and poor selectivity. The key to overcome these issues is to decorate CNTs with host (receptor) molecules like β-cyclodextrin (β-CD) that interact with guest (target) molecules by host–guest complex formation. To improve guest recognition, and consequently, the sensor performance, effective immobilization of β-CD on the CNT surface using a non-covalent bridging molecule such as 3, 4, 9, 10-perylene tetracarboxylic acid (PTCA) is required. Furthermore, the selectivity can be assessed using the conductance correlation patterns of different host–guest systems in conjunction with a pattern classification tool. Our results indicate that PTCA linked β-CD-decorated CNT chemiresistors showed a good linear detection range (∼100 pM–100 nM), sensitivity (∼3 × 10⁻³–9 × 10⁻² nM⁻¹) and LOD (∼62 pM–101 nM), compared to devices without PTCA, in the detection of the guest molecules. The distinction in correlation patterns of different host–guest systems was corroborated by pattern classification yielding a classification accuracy, sensitivity, and specificity of ∼91.83%, ∼90.13%, and ∼85.39%, respectively.     

Calculations of potential of mean force: application to ion-pairs and host–guest systems

ABSTRACT

We report the calculation of the potential of mean force (PMF) of different types of associations by various techniques: two no biased methods (thermodynamic integration and finite difference thermodynamic integration), a constraint biased technique (adaptive biasing force) and an umbrella biased method (umbrella sampling). We apply these methodologies to the association between two methane molecules in water, to the formation of an ion pair in water and to the formation of an insertion complex between a macrocycle and a cation. The different PMFs are compared to each other on the basis of the depth of the free energy minimum and on the location of different specific points.     

Surface anchoring effect on guest–host ferroelectric liquid crystal response time – an electro-optical investigation

The effect is reported of surface anchoring on various electro-optical parameters of a pure ferroelectric liquid crystal (FLC) and five mixtures with different concentrations of dye. The Anthraquinone D5 dye was used as guest entity, whereas Felix 17-000 was used as host in this investigation. The presence of dye molecules in the FLC dramatically affects the electro-optical properties compared with those of the pure system. Electro-optical parameters such as spontaneous polarization and rotational viscosity not only change with the addition of dye but they are also strongly dependent on the concentration of dye in pure FLC. The effect of dye molecules on the anchoring energy of the pure FLC system was also investigated. Due to strong anchoring energy on FLC substrate, its effect on response time was also studied. An improvement in the contrast ratio after dye doping was observed. The value of spontaneous polarization increases due to addition of dye, suggesting that molecular alignment improves, which is very useful from the application point of view.     

Investigation on the nonlinear optical properties of the DCNP/PEK-c guest–host polymer films

The polyetherketone (PEK-c) guest-host polymer thin films doped with 3-(1,1-dicyanothenyl)-1-phenyl-4,5-dihydro-1H-pryazole (DCNP) were prepared. The polymer films were investigated with in situ second-harmonic generation (SHG) measurement. The corona poling temperature was optimized by the temperature dependence of the in situ SHG signal intensity under the poling electric field applying. The temporal and temperature stability of the second-order properties of the poled polymer film were measured by the in situ SHG signal intensity probing. The second-order NLO coefficient L₃₃⁽²⁾=32.65 pm/V at 5=1064 nm was determined by using the Maker fringe method after poling under the optimal poling condition. The dispersion of the NLO coefficient of the guest-host polymer system was determined by the measured value of L₃₃⁽²⁾ at 1064 nm and the two-level model.     

Spectral investigations on 2,3-bis(chloromethyl)-1,4- anthraquinone: solvent effects and host–guest interactions

Solvent effects on 2,3-bis(chloromethyl)-1,4-anthraquinone (DCMAQ) and the molecular recognition of DCMAQ in calix[8]arene were investigated using optical absorption and fluorescence emission techniques. Optical absorption spectra show n→π^* band in 350–500 nm region. It also indicates that the dipole–dipole interaction and solvent reorganization energies are responsible for the observed features in different solvents. The observed quantum yield of DCMAQ in different solvents is due to the formation of intermolecular hydrogen bond and reorientation of solvent molecule in the excited state of DCMAQ. Excited state dipole moment of DCMAQ is calculated by solvatochromic data and it shows a higher excited state dipole moment than ground state dipole moment. Optical absorption and fluorescence studies of DCMAQ in calix[8]arene elucidate the evidence for the formation of complex between DCMAQ and calix[8]arene. The inclusion ratios and inclusion constant of the host–guest complexes are also determined.     

ICEMS study of isothermal oxidation of Fe–Mn–Al–C–Cr–Si–Mo, Fe–Mn–Al–C–Cr–Si and Fe–9Cr–1Mo alloys

The purpose of this paper is to investigate the isothermal behavior of Fe–27.3Mn–7.6Al–C–6.5Cr–0.25Si–0.88Mo (Mo(0)) and Fe–27.3Mn–7.6Al–1.0C–6.5Cr–0.25Si (Mo(1)) alloys and compare it against Fe–9Cr–1Mo (FCR) commercial alloy. The experiments were carried out at 600°C, 700°C, 750°C and 850°C, each one during 72 h in static air. The oxidation kinetics was measured as a function of time using a Thermogravimetry analyzer (TGA). The structure and composition of the oxide scale were characterized by X-ray diffraction (XRD) and Integral Conversion Electron Mössbauer Spectroscopy (CEMS). The TGA results show that at all oxidation temperatures the sample FCR exhibit the lowest kinetic corrosion and the lowest weight gain, whereas Mo(0) the highest. By CEMS technique it were found a broad magnetic sextet, which has been fit by one hyperfine field distribution with mean hyperfine field characteristic to ferritic/martensite phase, one Fe^3?+? doublet and one singlet for the Mo(0) and Mo(1) alloys. Samples oxidized at highest temperatures exhibit a strong paramagnetic line, probably due that the Cr or Mn oxides may be enriched on the surface. Then, the magnetic phase can be converted partially into austenite phase at highest temperatures.     

Grey－grey incoherently coupled spatial soliton pairs in guest－host photorefractive polymers

We show that incoherently coupled grey－grey spatial soliton pairs can be established in guest－host photorefractive polymers under steady-state conditions, provided that their carrier beams have the same polarization, wavelength, and are mutually incoherent. The properties of these soliton pairs, such as their width and polarization, are discussed in detail.     

Characterization of bismuth–tin–lead and bismuth–tin–lead–cadmium fusible alloys

Microstructure, electrical, mechanical and thermal properties of quenched bismuth–tin eutectic, Rose (Bi₅₀Sn_22.9Pb_27.1) and Wood’s (Bi₅₀Sn_12.5Pb₂₅Cd_12.5) alloys have been investigated using scanning electron microscopy, X-ray diffraction analysis, the double bridge method, the dynamic resonance method, Vickers hardness measurement and thermal analysis. Wood’s alloy (Bi–Pb–Sn–Cd) has low electrical resistivity and melting point but a high elastic modulus and internal friction when compared with the Rose (Bi–Pb–Sn) alloy. The presence of cadmium in Wood’s alloy decreases its melting point and electrical resistivity with an increase in its elastic modulus, which improves the mechanical properties. Wood’s alloy (Bi–Pb–Sn–Cd) has better properties, which make it useful in various applications such as in protection shields for radiotherapy, locking of mechanical devices and welding at low temperature.     

Electro-optic metal–insulator–semiconductor–insulator–metal Mach-Zehnder plasmonic modulator

The performance of a CMOS-compatible electro-optic Mach-Zehnder plasmonic modulator is investigated using electromagnetic and carrier transport simulations. Each arm of the Mach-Zehnder device comprises a metal–insulator–semiconductor–insulator–metal (MISIM) structure on a buried oxide substrate. Quantum mechanical effects at the oxide/semiconductor interfaces were considered in the calculation of electron density profiles across the structure, in order to determine the refractive index distribution and its dependence on applied bias. This information was used in finite element simulations of the electromagnetic modes within the MISIM structure in order to determine the Mach-Zehnder arm lengths required to achieve destructive interference and the corresponding propagation loss incurred by the device. Both inversion and accumulation mode devices were investigated, and the layer thicknesses and height were adjusted to optimise the device performance. A device loss of <8 dB is predicted for a MISIM structure with a 25 nm thick silicon layer, for which the device length is <3 μm, and <5 dB loss is predicted for the limiting case of a 5 nm thick silicon layer in a 1.2 μm long device: in both cases, the maximum operating voltage is 7.5 V.     

Chern–Simons–Rozansky–Witten topological field theory

We construct and study a new topological field theory in three dimensions. It is a hybrid between Chern–Simons and Rozansky–Witten theory and can be regarded as a topologically-twisted version of the N=4$N=4$d=3$d=3$ supersymmetric gauge theory recently discovered by Gaiotto and Witten. The model depends on a gauge group G and a hyper-Kähler manifold X with a tri-holomorphic action of G. In the case when X is an affine space, we show that the model is equivalent to Chern–Simons theory whose gauge group is a supergroup. This explains the role of Lie superalgebras in the construction of Gaiotto and Witten. For general X, our model appears to be new. We describe some of its properties, focusing on the case when G is simple and X is the cotangent bundle of the flag variety of G. In particular, we show that Wilson loops are labeled by objects of a certain category which is a quantum deformation of the equivariant derived category of coherent sheaves on X.     

Hardness and microstructural variation of Al–Mg–Mn–Sc–Zr alloy

Variations of Vickers hardness were observed in Al–Mg–Mn alloy and Al–Mg–Mn–Sc–Zr alloy at different ageing times, ranging from a peak value of 81.2 HV at 54 ks down to 67.4 HV at 360 ks, below the initial hardness value, 71.8 HV at 0 ks for the case of Al–Mg–Mn–Sc–Zr alloy. Microstructures of samples at each ageing stage were examined carefully by transmission electron microscopes (TEMs) both in two-dimensions and three-dimensions. The presence of different types, densities, and sizes of particles were observed dispersed spherical Al₃Sc_1−xZr_x and also block-shaped Al₃Sc precipitates growing along <1 0 0>_Al with facets {1 0 0} and {1 1 0} of the precipitates. TEM analysis both in two-dimensions and three-dimensions, performed on various samples, confirmed the direct correlation between the hardness and the density of Al₃Sc.     

Plastic deformation properties of Zr–Nb–Ti–Ta–Hf high-entropy alloys

We have investigated the plastic deformation properties of single-phase Zr–Nb–Ti–Ta–Hf high-entropy alloys from room temperature (RT) up to 300 °C. Uniaxial deformation tests at a constant strain rate of 10^?4?s^?1 were performed, including incremental tests such as stress relaxations, strain-rate changes, and temperature changes in order to determine the thermodynamic activation parameters of the deformation process. The microstructure of deformed samples was characterized by transmission electron microscopy. The strength of the investigated Zr–Nb–Ti–Ta–Hf phase is not as high as the values frequently reported for high-entropy alloys in other systems. At RT we measure a flow stress of about 850 °C. We find an activation enthalpy of about 1 eV and a stress dependent activation volume between 0.5 and 2 nm³. The measurement of the activation parameters at higher temperatures is affected by structural changes evolving in the material during plastic deformation.     

A golden point rule in rock–paper–scissors–lizard–spock game

We study a novel five-species system on two-dimensional lattices when each species have two superior and two inferior partners. Here we simplify the huge parameter space of predation probability to only two parameters. Both of Monte Carlo simulation and Mean Field Theory reveal that two of strategies may die out when the ratio of the two parameters is close to the golden point 0.618, and the remaining three strategies are provided a cyclic dominance system.     

Study of inverse a.c. Josephson effect in Y–Ba–Cu–O and Y–8a–Sr–Cu–O

Microwave induced d.c. voltage due to inverse a.c. Josephson effect has been observed across bulk samples of Y-Ba-Cu-O and Y-Ba-Sr-Cu-O. The d.c. voltage is found to vary with microwave power, frequency and also with small external magnetic fields. Although the resistivity curve of Y-Ba-Cu-O does not show any appreciable resistance drop around 230 K, the microwave induced d.c. voltage due to the inverse a.c. Josephson effect has been found to exist upto 230 K. The resistivity behaviour of Y-Ba-Sr-Cu-O shows a sharp resistivity drop above 230 K. In this sample the inverse Josephson effect is found to exist upto +26 °C, indicating the presence of a phase having a superconducting onset around this temperature.     

The Hintermann–Merlini–Baxter–Wu and the infinite-coupling-limit Ashkin–Teller models

We show how the Hintermann–Merlini–Baxter–Wu model (which is a generalization of the well-known Baxter–Wu model to a general Eulerian triangulation) can be mapped onto a particular infinite-coupling-limit of the Ashkin–Teller model. We work out some mappings among these models, also including the standard and mixed Ashkin–Teller models. Finally, we compute the phase diagram of the infinite-coupling-limit Ashkin–Teller model on the square, triangular, hexagonal, and kagome lattices.     

Approaches to the synthesis of High-TC superconducting oxides in La–Ba–Cu–O and Y–Ba–Cu–O systems

Abstract

High-T_C superconducting oxides of nominal La_1.85Ba_0.15 CuO₄ and YBa₂ Cu₃ O₇ have been prepared by using nitrate, carbonate, oxalate/malonate and citrate precursors. While the samples in the Y-system are generally monophasic YBa₂Cu₃O_7?δ with T_C around 90K, the preparations in the La-system are biphasic containing K₂NiF₄-like La_1.85Ba_0.15 CuO₄ (T_C = 30K) and a perovskite-like phase with' a much higher T_C (200–300K). Effect of Ca, Zr, Ce as well as S substitution in YBa₂Cu₃O_7?δ has also been investigated     

Spinning Particles in NUT–Reissner–Nordstrom Space–Time

We study the geodesic motion of pseudo-classical spinning particles in the NUT–Reissner–Nordstrom space–time. We investigate the generalized Killing equations for spinning space and derive the constants of the motion in terms of the solutions of these equations. We give an analysis of the motion on a cone and on a plane.     

Towards a Skyrme–Hartree–Fock–Bogolyubov Mass Formula

In this work, we explain our astrophysical motivations for deriving a mass formula based on HFB calculations with a Skyrme interaction. We give an overview of existing mass formulae and present briefly the last HF+BCS mass formula [1]. The Skyrme force MSk7 [1] is considered in the study of shell effects at N=82, in the neutron-rich region far from stability, within the HFB and HF+BCS theories, and compared with results obtained using the forces SkP^δ and SkP^δρ [2]. This revised version was published online in July 2006 with corrections to the Cover Date.     

Wormhole solutions in Gauss–Bonnet–Born–Infeld gravity

A new class of solutions which yields an (n + 1)-dimensional spacetime with a longitudinal nonlinear magnetic field is introduced. These spacetimes have no curvature singularity and no horizon, and the magnetic field is non singular in the whole spacetime. They may be interpreted as traversable wormholes which could be supported by matter not violating the weak energy conditions. We generalize this class of solutions to the case of rotating solutions and show that the rotating wormhole solutions have a net electric charge which is proportional to the magnitude of the rotation parameter, while the static wormhole has no net electric charge. Finally, we use the counterterm method and compute the conserved quantities of these spacetimes.