Diarylmethylene-bridged 4,4 '-(bis(9-carbazolyl))biphenyl: morphological stable host material for highly efficient electrophosphorescence

novel compound (BCBP) based on the modification of a well-known host material 4,4'-(bis(9-carbazolyl))biphenyl (CBP) through arylmethylene bridge linkage was synthesized, and fully characterized. Its thermal, electrochemical, electronic absorption and photoluminescent properties were studied. A high glass transition temperature (T-g) of 173 degrees C is observed for BCBP due to the introduction of the bridged structure, remarkably contrasting with a low T-g of 62 degrees C for CBP. Furthermore, the bridged structure enhances the conjugation and raises the HOMO energy, thus facilitating hole-injection and leading to a low turn-on voltage in an electroluminescent device. With the device structure of ITO/MoO3/NPB/Ir complex: BCBP/BCP/Alq(3)/LiF/Al, maximum power efficiencies of 41.3 lm/W and 6.3 lm/W for green- and blue-emitting OLED were achieved, respectively.

Voltage-composition profile and synchrotron X-ray structural analysis of low and high temperature LixCoO2 host material

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Novel Oligo-9,9 '-spirobifluorenes through ortho-Linkage as Full Hydrocarbon Host for Highly Efficient Phosphorescent OLEDs

4-Bromo-9,9'-spirobifluorene is facilely synthesized, and from this precursor, two ortho-linked oligo-9,9'-spirobifluorenes, 44BSF and 24TSF, are constructed. Devices with 24TSF as the full-hydrocarbon host material and Ir(ppy)(3) or (ppq)(2)Ir(acac) as the triplet emitter show maximum external quantum efficiencies of 12.6 and 10.5% for green and red electrophosphorescence, respectively.

A Fully Diarylmethylene-Bridged Triphenylamine Derivative as Novel Host for Highly Efficient Green Phosphorescent OLEDs

A fully diarylmethylene-bridged triphenylamine derivative is efficiently synthesized. It has an almost planar triphenylamine (TPA) skeleton and exhibits excellent thermal and morphological stability. Devices with the novel TPA derivative as host material and Ir(ppy)(3) as triplet emitter show a maximum current efficiency of 83.5 cd/A and a maximum power efficiency of 71.4 Im/W for green electrophosphorescence.

Nonconjugated Carbazoles: A Series of Novel Host Materials for Highly Efficient Blue Electrophosphorescent OLEDs

A series of carbazole derivatives was synthesized and their electrical and photophysical properties were investigated. It is shown that the triplet energy levels of these hosts are higher than that of the most popular blue phosphorescent material iridium(III) bis[(4,6-difluorophenyl)pyridinato-N,C-2'] picolinate (FIrpic) and the most extensively used phosphorescent host material 4,4'-N,N'-dicarbazole-biphenyl (CBP). These new host materials also showed good thermal stability and high glass transition temperatures (T-g) ranging from 78 to 115 degrees C as the linkage group between the carbazoles was altered. Photophysical measurements indicate that the energy transfer between these new hosts and FIrpic is more efficient than that between CBP and FIrpic. Devices incorporating these novel carbazole derivatives as the host material doped with FIrpic were fabricated with the configurations of ITO/NPB (40 nm)/host:FIrpic (30 nm)/BCP (15 nm)/AlQ (30 nm)/LiF (1 nm)/Al (150 nm). High efficiencies (up to 13.4 cd/A) have been obtained when 1,4-bis (4-(9H-carbazol-9-yl)phenyl)cyclohexane (CBPCH) and bis(4-(9H-carbazol-9-yl)phenyl) ether (CBPE) were used as the host, respectively.

Study of the nonlinear optical properties of a crosslinkable chromophore for use in guest host polymer films

A guest/host material system in which the guest molecule is a functionalized, optically nonlinear, chromophore is described. A verification of the crosslinking process, an assessment of the nonlinear properties of the chromophore, using Solvatochromic methods, and an investigation of the electric field induced molecular orientation using second-harmonic generation are included.

(Table 1) AMS-14C ages determined in pairs of spreiten and directly adjacent host sediment of cores M39029-4 and M29039-8

he downward transport of surface sediment deep into the sediment column by the Zoophycos-producing animal leads not only to large age differences between the Zoophycos structure and surrounding host sediment but also to large differences in age between different foraminifer species found inside the trace fossil. In the late Quaternary material from the southwestern Portuguese continental slope examined in this study, age differences of up to 2590 years were observed between the planktic foraminifer species Globigerinoides ruber and Globigerina bulloides. These differences are caused by the mixing of surface and host material with different abundances of the two species. If there are differences in the abundance of the two species at the surface and/or in the host sediment, plenty of relatively young foraminifers may be mixed with few relatively old ones, or vice versa. The age differences between species caused by the combination of deep-reaching bioturbation by the Zoophycos producer and abundance variations may be considerably larger than the age differences caused by the homogenizing bioturbation in the mixed layer.

Strain engineering of selective chemical adsorption on monolayer MoS2

Nanomaterials are prone to influence by chemical adsorption because of their large surface to volume ratios. This enables sensitive detection of adsorbed chemical species which, in turn, can tune the property of the host material. Recent studies discovered that single and multi-layer molybdenum disulfide (MoS2) films are ultra-sensitive to several important environmental molecules. Here we report new findings from ab inito calculations that reveal substantially enhanced adsorption of NO and NH3 on strained monolayer MoS2 with significant impact on the properties of the adsorbates and the MoS2 layer. The magnetic moment of adsorbed NO can be tuned between 0 and 1 μB; strain also induces an electronic phase transition between half-metal and metal. Adsorption of NH3 weakens the MoS2 layer considerably, which explains the large discrepancy between the experimentally measured strength and breaking strain of MoS2 films and previous theoretical predictions. On the other hand, adsorption of NO2, CO, and CO2 is insensitive to the strain condition in the MoS2 layer. This contrasting behavior allows sensitive strain engineering of selective chemical adsorption on MoS2 with effective tuning of mechanical, electronic, and magnetic properties. These results suggest new design strategies for constructing MoS2-based ultrahigh-sensitivity nanoscale sensors and electromechanical devices.

Mechanical properties and damage tolerance of Y2SiO5

Y2SiO5 has potential applications as functional-structural ceramic and environmental/thermal barrier coating material. As an important grain-boundary phase in the sintered Si3N4, it also influences the mechanical and dielectric performances of the host material. In this paper, we present the mechanical properties of Y2SiO5 including elastic moduli, hardness, strength and fracture toughness, and try to understand the mechanical features from the viewpoint of crystal structure. Y2SiO5 has low shear modulus, low hardness, as well as high capacity for dispersing mechanical damage energy and for resisting crack penetration. Particularly, it can be machined by cemented carbides tools. The crystal structure characteristics of Y2SiO5 suggest the low-energy weakly bonded atomic planes crossed only by the easily breaking Y-O bonds as well as the rotatable rigid SiO4 tetrahedra are the origins of low shear deformation, good damage tolerance and good machinability of this material. TEM observations also demonstrate that the mechanical damage energy was dispersed in the form of the micro-cleavages, stacking faults and twins along these weakly bonded atomic planes, which allows the "microscale-plasticity" for Y2SiO5.

Electrical Properties of Thermal Evaporated Cd1−xMnxS Nanocrystalline Films

Thin films of Cd1−xMnxS (0<=x<=0.5) were deposited on glass substrates by thermal evaporation. All the films were deposited at 300 K and annealed at 373, 473, and 573 K for 1 h in a high vacuum in the range 10−4 Pa. The as-deposited and the annealed films were characterized for composition, structure, and microstructure by using energy-dispersive X-ray, X-ray diffraction, scanning electron microscopy, and atomic force microscopy (AFM). The electrical properties were studied by Hall effect measurement. Electrical conductivity was studied in the temperature range 190–450 K. AFM studies showed that all the films were in nanocrystalline form with grain size varying in the range between 36 and 82 nm. Grain size studies showed a definite increase with annealing temperature. All the films exhibited wurtzite structure of the host material. The lattice parameter varied linearly with composition, following Vegard's law in the entire composition range. Grain size, electrical conductivity, Hall mobility, carrier concentration, and activation energy varied, exhibiting either maxima or minima at x=0.3.

Soft-chemical routes to synthesis of solid oxide materials

We describe three different families of metal oxides, viz., (i) protonated layered perovskites, (ii) framework phosphates of NASICON and KTiOPO4 (KTP) structures and (iii) layered and three-dimensional oxides in the H-V-W-O system, synthesized by 'soft-chemical' routes involving respectively ion-exchange, redox deinteracalation and acid-leaching from appropriate parent oxides. Oxides of the first family, HyA2B3O10(A = La/Ca; B = Ti/Nb), exhibit variable Bronsted acidity and intercalation behaviour that depend on the interlayer structure. V2(PO4)3 prepared by oxidative deintercalation from Na3V2(PO4)3 is a new host material exhibiting reductive insertion of lithium/hydrogen, while K0.5Nb0.5 M0.5OPO4(M = Ti, V) are novel KTP-like materials exhibiting second harmonic generation of 1064 nm radiation. HxVxW1-xO3 for x = 0.125 and 0.33 possessing alpha-MoO3 and hexagonal WO3 structures, prepared by acid-leaching of LiVWO6, represent functionalized oxide materials exhibiting redox and acid-base intercalation reactivity.

Diffusion Anomaly in Silicalite and VPI-5 from Molecular Dynamics Simulations

Molecular dynamics (MD) simulations on rigid and flexible framework models of silicalite and a rigid framework model of the aluminophosphate VPI-5 for different sorbate diameters are reported. The sorbate-host interactions are modeled in terms of simple atom-atom Lennard-Jones interactions. The results suggest that the diffusion coefficient exhibits an anomaly as gamma approaches unity. The MD results confirm the existence of a linear regime for sorbate diameters significantly smaller than the channel diameter and an anomalous regime observed for sorbate diameters comparable to the channel diameter. The power spectra obtained by Fourier transformation of the velocity autocorrelation function indicate that there is an increase in the intensity of the low-frequency component for the velocity component parallel to the direction of motion for the sorbate diameter in the anomalous regime. The present results suggest that the diffusion anomaly is observed irrespective of (1) the geometry and topology of the pore structure and (2) the nature of the host material. The results are compared with the work of Derouane and co-workers, who have suggested the existence of ''floating molecules'' on the basis of earlier theoretical and computational approaches.

Investigations on structural and optical properties of co-doped (Ag, Co) ZnO nanoparticles

Undoped and co-doped (Ag, Co) ZnO powders were synthesized by chemical co-precipitation method without using any capping agent. The X-ray diffraction results indicate that the undoped and co-doped ZnO powders have pure hexagonal structure and are consisting of nanosized single-crystalline particles. The size of the nanoparticles increases with increasing Ag concentration from 1 to 5 mol% as compared to that of undoped ZnO. The presence of substitution dopants of Ag and Co in the ZnO host material was confirmed by the Energy dispersive analysis of X-rays (EDAX). Optical absorption measurements indicate blue shift and red-shift in the absorption band edge upon doping concentration of Ag and blue emission was observed by photoluminescence (PL) studies.

Spectroscopic properties and Judd-Ofelt theory analysis of Dy3+ doped oxyfluoride silicate glass

Dy3+ doped oxyfluoride silicate glass was prepared and its optical absorption, 1.3 mu m emission, and upconversion luminescence properties were studied. Furthermore, the Judd-Ofelt [Phys. Rev. 127, 750 (1962); J. Chem. Phys. 37, 511 (1962)] intensity parameters, oscillator strengths, spontaneous transition probability, fluorescence branching ratio and radiative lifetime were calculated by Judd-Ofelt theory, while stimulated emission cross section of H-6(9/2)+F-6(11/2)-> H-6(15/2) transition was calculated by McCumber theory [Phys. Rev. A. 134, 299 (1964)]. According to the obtained Judd-Ofelt intensity parameters Omega(2)=2.69x10(-20) cm(2), Omega(4)=1.64x10(-20) cm(2), and Omega(6)=1.64x10(-20) cm(2), the radiative lifetime was calculated to be 810 mu s for 1.3 mu m emission, whose full width at half maximum and sigma(e) were 115 nm and 2.21x10(-20)cm(2), respectively. In addition, near infrared to visible upconversion luminescence was observed and evaluated. The results suggest that Dy3+ doped oxyfluoride silicate glass can be used as potential host material for developing broadband optical amplifiers and laser applications.

Intense frequency upconversion luminescence in Yb3+/Tm3+-codoped oxychloride germanate glasses

Yb3+/Tm3+-codoped oxychloride germanate glasses for developing potential upconversion lasers have been fabricated and characterized. Structural properties were obtained based on the Raman spectra analysis, indicating that PbCl2 plays an important role in the formation of glass network and has an important influence on the maximum phonon energies of host glasses. Intense blue and weak red emissions centered at 477 and 650 nm, corresponding to the transitions (1)G(4) -> H-3(6) and (1)G(4) -> H-3(4), respectively, were observed at room temperature. With increasing PbCl2 content, the intensity of blue (477 nm) emission increases significantly, while the red (650 nm) emission increases slowly. The results indicate that PbCl2 has more influence on the blue emissions than the red emission in oxychloride germanate glasses. The possible upconversion mechanisms are discussed and estimated. Intense blue upconversion luminescence indicates that these oxychloride germanate glasses can be used as potential host material for upconversion lasers. C (c) 2005 Springer Science + Business Media, Inc.