Effects of hole injection layer thickness on the luminescent properties of white organic light-emitting diodes

This work investigates how the thickness of the hole injection layer (HIL) influences the luminescent characteristics of white organic light-emitting diodes (WOLED). Experimental results indicate that inserting a thin HIL (<200 Å) into a WOLED without an HIL reduces the brightness and clearly changes the chromaticity because the surface of the 4,4′,4″-tris{N,-(3-methylphenyl)-N-phenylamino}-triphenylamine) (m-MTDATA) film is extremely rough. In contrast, a dense film structure and the fine surface morphology of m-MTDATA of moderate thickness (350-650 Å) provides a uniform conducting path on which holes cross the indium tin oxide (ITO)/HIL interface, improving luminescent performance, associated with the relatively stable purity of the color of the emission, with Commission Internationale 1′Eclairage (CIE) coordinates of (x = 0.40, y = 0.40). However, inserting a thick HIL (>650 Å) reduces the luminescent performance and causes red-shift, because the holes and electrons in the effective emissive confinement region become less optimally balanced. Moreover, optimizing the device structure enables a bright WOLED with CIE coordinates of (x = 0.34, y = 0.33) to reach a luminance of 7685 cd/m² at a current density of 100 mA/cm², with a maximum luminous efficiency of 1.72 lm/W at 5.5 V.     

Synthesis,characterization, and electroluminescence of PPV copolymers containing electron and hole‐transporting units

Three series of poly(phenylene vinylene) (PPV) derivatives containing hole‐transporting triphenylamine derivatives [N‐(4‐octoxylphenyl)diphenylamine, N,N′‐di(4‐octyloxylphenyl)‐N,N′‐diphenyl‐1,4‐phenylenediamine, and N,N′‐di(4‐octoxylphenyl)‐N,N′‐diphenylbenzidine] (donor) and electron‐transporting oxadiazole unit (2,5‐diphenyl‐1,3,4‐oxadiazole) (acceptor) in the main chain were synthesized by improved Wittig copolymerization. The resulting donor–acceptor (D‐A) polymers are readily soluble in common organic solvents, such as chloroform, dichloroethane, THF, and toluene. The polymers containing oxadiazole group exhibit good thermal stability with 5% weight loss above 400 °C. The intramolecular charge‐transfer was observed in these D‐A polymers. In comparison with corresponding polymers without oxadiazole unit, the single‐layer devices based on the D‐A polymers showed much improved electroluminescent properties, because of the balanced charge injection and transport. © 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 1566–1576, 2008     

Electronic structures of permethyloligosilane radical cations at the ground and low-lying excited states

The electronic structures at the ground and low-lying excited states of permethyloligosilane radical cations, Si_n(CH₃)_2n+2⁺ (n = 4-7), have been investigated using DFT and ab initio calculations. The calculations showed that positive charge (hole) is delocalized along the Si-Si main chain at the ground and first excited states. On the other hand, the hole is transferred to the methyl side-chain at the second and higher excited states. From these results, it was concluded that hole can move along the Si-Si main chain at thermal conditions. Also, it was predicted that intermolecular hole hopping takes place by photo-irradiation to the permethyloligosilane radical cation. The mechanism of hole transfer was discussed on the basis of the results.     

Accuracy and sensitivity of a hole drilling and digital speckle pattern interferometry combined technique to measure residual stresses

This paper reports on the accuracy and sensitivity of digital speckle pattern interferometry (DSPI) when it is combined with the hole drilling technique for measuring residual stresses. The in-plane displacement field generated by the introduction of a small hole is determined using an automated data analysis approach. This method is based on the calculation of the optical phase distribution through a phase-shifting method and the application of a robust iterative phase unwrapping algorithm. It is experimentally demonstrated that residual stresses can be measured with a relative uncertainty of 7.5%. It is also shown that the minimum value of residual stress that can be determined with the DSPI and hole drilling combined technique is about 10% of the yield stress of the material.     

电磁脉冲斜入射时对孔缝耦合效应的数值分析

 利用时域有限差分法（FDTD）研究了电磁脉冲对不同孔洞的耦合规律。分别分析了电磁脉冲对正方形、长方形和多孔洞的耦合效应，讨论了不同极化方向的电磁脉冲对孔洞的耦合能量的规律。研究表明：电磁脉冲对正方形孔洞的耦合能量较小；而对长方形，当脉冲极化方向与长方形短边平行时，耦合能量最大；在孔洞面积相同的条件下，对多孔洞的能量耦合要比单孔洞小。     

Molecular dynamics simulation study of deep hole drilling in iron by ultrashort laser pulses

Classical molecular dynamics simulation technique is applied for investigation of the iron ablation by ultrashort laser pulses at conditions of deep hole for the first time. Laser pulse duration of 0.1 ps at wavelength of 800 nm is considered. The evolution of the ablated material in deep hole geometry differs completely from the free expansion regime as two major mechanisms are important for the final hole shape. The first one is the deposition of the ablated material on the walls, which narrows the hole at a certain height above its bottom. The second mechanism is related to ablation of the material from the walls (secondary ablation) caused by its interaction with the primary ablated particles. Properties of the secondary ablated particles in terms of the velocity and the angular distribution are obtained. The material removal efficiency is estimated for vacuum or in Ar environment conditions. In the latter case, the existence of well-defined vapor cloud having low center of the mass velocity is found. The processes observed affect significantly the material expulsion and can explain the decrease of the drilling rate with the hole depth increase, an effect observed experimentally.     

Satellite Hole Investigation of the Vibrational Modes of 9-Aminoacridine upon Binding to DNA

The spectral features of satellite holes are used to investigate 9-aminoacridine-DNA interactions. The hole depths of the outer ring vibronic modes are reduced more than that of the inner ring vibronic modes, implying that inner ring motion is less perturbed than outer ring motion. As a result, the mode coupling between the inner ring and outer ring is reduced upon binding to DNA. However, similar hole frequency and width of the satellite hole corresponding to the NH₂ mode upon binding to DNA imply that the amino group of 9-aminoacridine sits outside the DNA.     

Synthesis and evaluation of photoluminescent and electrochemical properties of new aromatic polyamides and polyimides with a kink 1,2‐phenylenediamine moiety

A series of novel triphenylamine‐containing aromatic polyamides and polyimides having a crank and twisted noncoplanar structures were synthesized in inherent viscosities of 0.14–0.64 dL/g and 0.11–0.67 dL/g, respectively. These polymers had useful levels of thermal stability associated with relatively high glass‐transition temperatures (174–311 °C). They exhibited strong UV–Vis absorption bands at around 300 nm in NMP solutions. The PL spectra of these polymers in NMP solutions (1 × 10^?5 M) showed maximum peaks around 396–479 nm. The hole‐transporting and electrochromic properties were examined by electrochemical and spectroelectrochemical methods. Cyclic voltammetry (CV) of the polymer films cast onto an indium‐tin oxide (ITO)‐coated glass substrate exhibited two reversible oxidation redox couples at potentials of 0.70–1.01 V and 1.10–1.46 V, respectively, vs. Ag/AgCl in acetonitrile solution. The polymer films revealed electrochromic characteristics, with a color change from neutral pale yellowish to green and then to a blue oxidized form at applied potentials ranging from 0.00 to 1.75 V. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 2587–2603, 2006     

Dendritic-Like Molecules Built on a Pillar[5]arene Core as Hole Transporting Materials for Perovskite Solar Cells

Multi-branched molecules have recently demonstrated interesting behaviour as charge-transporting materials within the fields of perovskite solar cells (PSCs). For this reason, extended triarylamine dendrons have been grafted onto a pillar[5]arene core to generate dendrimer-like compounds, which have been used as hole-transporting materials (HTMs) for PSCs. The performances of the solar cells containing these novel compounds have been extensively investigated. Interestingly, a positive dendritic effect has been evidenced as the hole transporting properties are improved when going from the first to the second-generation compound. The stability of the devices based on the best performing pillar[5]arene material has been also evaluated in a high-throughput ageing setup for 500 h at high temperature. When compared to reference devices prepared from spiro-OMeTAD, the behaviour is similar. An analysis of the economic advantages arising from the use of the pillar[5]arene-based material revealed however that our pillar[5]arene-based material is cheaper than the reference.     

Star‐Shaped Molecules as Dopant‐Free Hole Transporting Materials for Efficient Perovskite Solar Cells: Multiscale Simulation

On the reported TCP‐OH (See Scheme 1), other two star‐shaped molecules are theoretically designed by replacement of side group of TCP‐OH by N,N‐di(4‐methoxyphenyl)aniline for TPAP‐OH and oxygen‐bridged triarylamine for TBOPP‐OH . The core group, phenol, is kept in three molecules. Their potential to be hole transport material in perovskite solar cells without dopants is evaluated by multiscale simulations. The properties of isolated molecules are estimated by the frontier molecular orbital, absorption spectrum, and hole mobility. After that, the HTM@CH₃NH₃PbI₃ adsorbed system is studied to consider the influence of adsorption on HTM performance. Besides the primary judgment, the glass transition temperature is also simulated to determine the stability of amorphous film. Not only the chemical stability is evaluated but also the amorphous film stability is considered. The latter is almost neglected in previous theoretical studies to evaluate the properties of HTMs. The performance of a designed molecule is evaluated from both the isolated molecules and HTM@CH₃NH₃PbI₃ adsorbed system including aforementioned items, which is favorable to build reliable structure‐property relationship.