White Electroluminescence from a Phosphonate-Functionalized Single-Polymer System with Electron-Trapping Effect

A novel strategy for obtaining white electroluminescence (EL) is based on the mechanism of electron trapping on host. Phosphonate-functionalized polyfluorene is chosen as host owing to its strong electron affinity. Electrons are confined mostly by host pendants in the EL process, which suppresses charge transfer from host to dopant. White EL with CIE coordinates of (0.34,0.35) is achieved.

Efficient Electrophosphorescence from a Platinum Metallopolyyne Featuring a 2,7-Carbazole Chromophore

The synthesis, thermal and emission properties of an electrophosphorescent platinum(II) metallopolyyne polymer consisting of 9-butylcarbazole-2,7-diyl spacer P1 are described. The optical and electronic properties of P1 are compared to their molecular diplatinum(II) and digold(I) model complexes. The photophysical properties of P1 are somehow analogous to its 2,7-fluorene-linked congener but differs significantly from that for the 3,6-carbazole derivative. Its optical band gap is notably reduced as compared to that for the 3,6-carbazole analog. Multi-layer polymer light-emitting diodes (PLEDs) were fabricated with P1 as the emitting layer which gave a strong green-yellow electrophosphorescence. The best PLED can reach the maximum current efficiency of 4.7 cd . A(-1) at 5 wt.-% doping level, corresponding to an external quantum efficiency of 1.5%. This represents the first literature example of efficient PLEDs exhibiting pure triplet emission under electrical excitation for metallopolyynes without the concomitant singlet emission.

A versatile color tuning strategy for iridium(III) and platinum(II) electrophosphors by shifting the charge-transfer states with an electron-deficient core

By fusing an electron-deficient ring system with the phenyl ring of a 2-phenylpyridine (ppy)-type ligand, a new and synthetically versatile strategy for the phosphorescence color tuning of cyclometalated iridium(III) and platinum(II) metallophosphors has been established. Two robust red electrophosphors with enhanced electron-injection/electron-transporting features were prepared by using an electron-trapping fluoren-9-one chromophore in the ligand design. The thermal, photophysical, redox and electrophosphorescent properties of these complexes are reported. These exciting results can be attributed to a switch of the metal-to-ligand charge-transfer (MLCT) character of the transition from the pyridyl groups in the traditional Ir-III or Pt-II ppy-type complexes to the electron-deficient ring core, and the spectral assignments corroborate well with the electrochemical data as well as the timedependent density functional theory (TD-DFT) calculations. The electron-withdrawing character of the fused ring results in much more stable MLCT states, inducing a substantial red-shift of the triplet emission energy from yellow to red for the Ir-III complex and even green to red for the PtII counterpart.

Synthesis and Properties of Carbazole Main Chain Copolymers with Oxadiazole Pendant toward Bipolar Polymer Host: Tuning the HOMO/LUMO Level and Triplet Energy

Three new carbazole copolymers, poly(9-(2,5-diarene-[1,3,4]oxadiazole)-carbazole-alt-9-(2-ethylhexyl)-carbazole-3,6-diyl)s (P1), poly(9-(2,5-diarene-[1,3,4]oxadiazole)-2, 7-carbazole-alt-9-(2-ethylhexyl)-3, 6-carbazole-diyl)s (P2), and poly(9-(2,5-diarene-[1,3,4]oxadiazole)-carbazole-alt-9-(2-ethylhexyl)-carbazole-2,7-diyl)s (P3), were synthesized by the Suzuki coupling reaction

Harvesting Excitons Via Two Parallel Channels for Efficient White Organic LEDs with Nearly 100% Internal Quantum Efficiency: Fabrication and Emission-Mechanism Analysis

By incorporating two phosphorescent dyes, namely, iridium(III)[bis(4,6-difluorophenyl)-pyridinato-N,C-2']picolinate (Flrpic) for blue emission and bis(2-(9,9-diethyl-9H-fluoren-2-yl)-1-phenyl-1 H-benzoimidazol-N,C-3) iridium(acetylacetonate) ((fbi)(2)Ir(acac)) for orange emission, into a single-energy well-like emissive layer, an extremely high-efficiency white organic light-emitting diode (WOLED) with excellent color stability is demonstrated. This device can achieve a peak forward-viewing power efficiency of 42.5 lm W-1, corresponding to an external quantum efficiency (EQE) of 19.3% and a current efficiency of 52.8 cd A(-1). Systematic studies of the dopants, host and dopant-doped host films in terms of photophysical properties (including absorption, photoluminescence, and excitation spectra), transient photoluminescence, current density-voltage characteristics, and temperature-dependent electroluminescence spectra are subsequently performed, from which it is concluded that the emission natures of Flrpic and (fbi)(2)Ir(acac) are, respectively, host-guest energy transfer and a direct exciton formation process. These two parallel pathways serve to channel the overall excitons to both dopants, greatly reducing unfavorable energy losses.

High efficiency fluorescent white organic light-emitting diodes with red, green and blue separately monochromatic emission layers

Highly efficient fluorescent white organic light-emitting diodes (WOLEDs) have been fabricated by using three red, green and blue, separately monochromatic emission layers. The red and blue emissive layers are based on 4-(dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4H-pyran (DCJTB) doped N,N'-di(naphthalene-1-yl)-N,N'-diphenyl-benzidine (NPB) and p-bis(p-N,N-diphenyl-amino-styryl) benzene (DSA-ph) doped 2-methyl-9,10-di(2-naphthyl) anthracene (MADN), respectively; and the green emissive layer is based on tris(8-hydroxyquionline)aluminum(Alq(3)) doped with 10-(2-benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl- 1H,5H,1[H-(1)-benzopyropyrano(6,7-8-i,j)quinolizin-1]-one (C545T), which is sandwiched between the red and the blue emissive layers. It can be seen that the devices show stable white emission with Commission International de L'Eclairage coordinates of (0.41, 0.41) and color rendering index (CRI) of 84 in a wide range of bias voltages.

Oxadiazole-containing material with intense blue phosphorescence emission for organic light-emitting diodes

2-(2-hydroxyphenyl)-5-phenyl-1, 3, 4-oxadiazole (HOXD), characteristic of excited state intramolecular proton-transfer (ESIPT), was synthesized and found to emit strong blue phosphorescence in the solid state at room temperature and at low temperature (77 K). The photoluminescent spectrum measurement in solution showed that there are two kinds of emission: fluorescence originated from the singlet state and phosphorescence derived from the triplet state in HOXD formed by ESIPT. For the photoluminescent spectrum in the solid state, only phosphorescence emission with the lifetime of 66 mus was observed. Multiple-layer light-emitting diodes with the configuration of ITO/NPB/HOXD/BCP/Alq(3)/Mg:Ag were fabricated using HOXD as emitter and the maximum brightness of 656 cd/m(2) and the luminous efficiency of 0.14 lm/W was obtained.

Effect of temperature on dislocation emission from crack tip for BCC metal Mo

The effect of thermally activated energy on the dislocation emission from a crack tip in BCC metal Mo is simulated in this paper. Based on the correlative reference model on which the flexible displacement boundary scheme is introduced naturally, the simulation shows that as temperature increases the critical stress intensity factor for the first dislocation emission will decrease and the total number of emitted dislocations increase for the same external load. The dislocation velocity and extensive distance among partial dislocations are not sensitive to temperature. After a dislocation emission, two different deformation slates are observed, the stable and unstable deformation states. In the stable deformation slate, the nucleated dislocation will emit from the crack tip and piles up at a distance far away from the crack tip, after that the new dislocation can not be nucleated unless the external loading increases. In the unstable deformation state, a number of dislocations can be emitted from the crack lip continuously under the same external load.

Acoustic Emission Experiments of Rock Failure under Load Simulating the Hypocenter Condition

A series of acoustic emission (AE) experiments of rock failure have been conducted under cyclic load in tri-axial stress tests. To simulate the hypocenter condition the specimens are loaded by the combined action of a constant stress, intended to simulate

Correlative reference model and molecular dynamics simulation of dislocation emission process

A correlative reference model for computer molecular dynamics simulations is proposed. Based on this model, a flexible displacement boundary scheme is introduced and the dislocations emitted from a crack tip can continuously pass through the border of the inner discrete atomic region and pile up at the outer continuum region. The effect of the emitted dislocations within the plastic zone on the inner atomistic region can be clearly demonstrated. The simulations for a molybdinum crystal show that a full dislocation in a bcc crystal is dissociated into three partial dislocations and interaction between the crack and the emitted dislocations results in gradual decrease of the local stress intensity factor.

Molecular dynamics simulation of hydrogen enhancing dislocation emission

The interactive pair potential between Al and H is obtained based on the ab initio calculation and the Chen-Mobius 3D lattice inversion formula. By utilizing the pair potentials calculated, the effects of hydrogen on the dislocation emission from crack tip have been studied. The simulated result shows that hydrogen can reduce the cohesive strength for Al single crystal, and then the critical stress intensity factor for partial dislocation emission decreases from 0.11 MPa root m (C-H = 0) to 0.075 MPa root m (C-H=0.72%) and 0.06 MPa root m (C-H = 1.44%). This indicates thar hydrogen can enhance the dislocation emission. The simulation also shows that atoms of hydrogen can gather and turn into small bubbles, resulting in enhancement of the equilibrium vacancy concentration.

Dislocations emission and crack extension at the atomistic crack tip in body-centered-cubic metal Mo

The behaviors of a crack in body-centered-cubic metal Mo under different loading modes were studied using the molecular dynamics method. Dislocation emission was observed near the crack tip in response to mode II loading with theta = 0 degrees in which theta is the inclination angle of the slip plane with respect to the crack plane, and two full dislocations were observed at the stress level of K-II = 1.17 MPa m(1/2) without any evidence of crack extension. Within the range of 0 degrees less than or equal to theta less than or equal to 45 degrees, crack extension was observed in response to mode I loading, and the effect of crystal orientation on the crack propagation was studied, The crack propagated along the [111] slip direction without any evidence of dislocations emission.

Molecular dynamics simulation on dislocation emission process

A correlative reference model for a computer simulation of molecular dynamics is proposed in this paper. Based on this model, a flexible displacement boundary scheme is naturally introduced and the dislocations emitted from a crack tip are presumed to continuously pass through the border of an inner discrete atomic region to pile up at an outer continuum region. The simulations for a Mo crystal show that the interaction between a crack and emitted dislocations results in the decrease in local stress intensity factor gradually.

Moment Tensor Analysis of the Acoustic Emission Source in the Rock Damage Process

To further investigate the mechanism of acoustic emission (AE) in the rock fracture experiment, moment tensor analysis was carried out. The AE sources characterized by crack sizes, orientations and fracture modes, are represented by a time-dependent momen

A unified model for dislocation nucleation, dislocation emission and dislocation free zone

In this paper, a unified model for dislocation nucleation, emission and dislocation free zone is proposed based on the Peierls framework. Three regions are identified ahead of the crack tip. The emitted dislocations, located away from the crack tip in the form of an inverse pileup, define the plastic zone. Between that zone and the cohesive zone immediately ahead of the crack tip, there is a dislocation free zone. With the stress field and the dislocation density field in the cohesive zone and plastic zone being, respectively, expressed in the first and second Chebyshev polynomial series, and the opening and slip displacements in trigonometric series, a set of nonlinear algebraic equations can be obtained and solved with the Newton-Raphson Method. The results of calculations for pure shearing and combined tension and shear loading after dislocation emission are given in detail. An approximate treatment of the dynamic effects of the dislocation emission is also developed in this paper, and the calculation results are in good agreement with those of molecular dynamics simulations.