Synthesis of New Europium Complexes and Their Application in Electroluminescent Devices

Several substituted phenanthrolines (L = pyrazino[2,3‐f][1,10]phenanthroline (PyPhen), 2‐methylpyrazino[2,3‐f][1,10]phenanthroline (MPP), dipyrido[3,2‐a:2′,3′‐c]phenazine (DPPz), 11‐methyldipyrido[3,2‐a:2′,3′‐c]phenazine (MDPz), 11,12‐dimethyldipyrido[3,2‐a:2′,3′‐c]phenazine (DDPz), and benzo[i]dipyrido[3,2‐a:2,3‐c]phenazine (BDPz)) were successfully prepared and europium complexes Eu(TTA)₃L (Eu‐L) based on these ligands were synthesized from EuCl₃, 2‐thenoyltrifluoroacetone (TTA) and L in good yields. Irradiation at the absorption band between 320–390 nm of all these europium complexes, except Eu‐BDPz, in solution or in the solid state leads to the emission of a sharp red band at ～ 612 nm, a characteristic Eu³⁺ emission due to the transition ⁵D₀ → ⁷F₂. No emission from the ligands was found. The result indicates that complete energy transfer from the ligand to the center Eu³⁺ ion occurs for these europium complexes. In contrast, the photoluminescence spectrum of Eu‐BDPz exhibits a strong emission at around 550 nm from the coordinated BDPz ligand and a weak emission at 612 nm from the central europium ion. Incomplete energy transfer from the ligand to the central Eu³⁺ ion was observed for the first time. Several electroluminescent devices ( A – I ) using Eu‐PyPhen, Eu‐MPP, Eu‐DPPz, and Eu‐DDPz as dopant emitters with the device configuration: TPD or NPB (50 nm)/Eu:CBP (1.7–7 %, 30 nm)/BCP (20–30 nm)/Alq (25–35 nm) (where TPD: 4,4′‐bis[N‐(p‐tolyl)‐N‐phenylamino]biphenyl; NPB: 4,4′‐bis[1‐naphthylphenylamino]biphenyl; CBP: 4,4′‐N,N′‐dicarbazole biphenyl; BCP: 2,9‐dimethyl‐4,7‐diphenyl‐1,10‐phenanthroline; Alq: tris[8‐hydroxyquinoline]aluminum) were fabricated. Some of these devices emit saturated red light and are the only europium complex‐based devices that show a brightness of more than 1000 cd m^–2.     

Electrical Percolation Behavior in Silver Nanowire–Polystyrene Composites: Simulation and Experiment

The design and preparation of isotropic silver nanowire‐polystyrene composites is described, in which the nanowires have finite L/D (< 35) and narrow L/D distribution. These model composites allow the L/D dependence of the electrical percolation threshold, ?_c, to be isolated for finite‐L/D particles. Experimental ?_c values decrease with increasing L/D, as predicted qualitatively by analytical percolation models. However, quantitative agreement between experimental data and both soft‐core and core–shell analytical models is not achieved, because both models are strictly accurate only in the infinite‐L/D limit. To address this analytical limitation, a soft‐core simulation method to calculate ?_c and network conductivity for cylinders with finite L/D are developed. Our simulated ?_c results agree strongly with our experimental data, suggesting i) that the infinite‐aspect‐ratio assumption cannot safely be made for experimental networks of particles with L/D < 35 and ii) in predicting ?_c, the soft‐core model makes a less significant assumption than the infinite‐L/D models do. The demonstrated capability of the simulations to predict ?_c in the finite‐L/D regime will allow researchers to optimize the electrical properties of polymer nanocomposites of finite‐L/D particles.     

Blue‐Emitting Cationic Iridium Complexes with 2‐(1H‐Pyrazol‐1‐yl)pyridine as the Ancillary Ligand for Efficient Light‐Emitting Electrochemical Cells

Two blue‐emitting cationic iridium complexes with 2‐(1H‐pyrazol‐1‐yl)pyridine (pzpy) as the ancillary ligands, namely, [Ir(ppy)₂(pzpy)]PF₆ and [Ir(dfppy)₂(pzpy)]PF₆ (ppy is 2‐phenylpyridine, dfppy is 2‐(2,4‐difluorophenyl) pyridine, and PF₆^? is hexafluorophosphate), have been prepared, and their photophysical and electrochemical properties have been investigated. In CH₃CN solutions, [Ir(ppy)₂(pzpy)]PF₆ emits blue‐green light (475 nm), which is blue‐shifted by more than 100 nm with respect to the typical cationic iridium complex [Ir(ppy)₂(dtb‐bpy)]PF₆ (dtb‐bpy is 4,4′‐di‐tert‐butyl‐2,2′‐bipyridine); [Ir(dfppy)₂(pzpy)]PF₆ with fluorine‐substituted cyclometalated ligands shows further blue‐shifted light emission (451 nm). Quantum chemical calculations reveal that the emissions are mainly from the ligand‐centered ³π–π* states of the cyclometalated ligands (ppy or dfppy). Light‐emitting electrochemical cells (LECs) based on [Ir(ppy)₂(pzpy)]PF₆ gave green‐blue electroluminescence (486 nm) and had a relatively high efficiency of 4.3 cd A^?1 when an ionic liquid 1‐butyl‐3‐methylimidazolium hexafluorophosphate was added into the light‐emitting layer. LECs based on [Ir(dfppy)₂(pzpy)]PF₆ gave blue electroluminescence (460 nm) with CIE (Commission Internationale de L'Eclairage) coordinates of (0.20, 0.28), which is the bluest light emission for iTMCs‐based LECs reported so far. Our work suggests that using diimine ancillary ligands involving electron‐donating nitrogen atoms (like pzpy) is an efficient strategy to turn the light emission of cationic iridium complexes to the blue region.     

Recent Advances in Optical Engineering of Light‐Emitting Electrochemical Cells

Since the first demonstration of light‐emitting electrochemical cells (LECs) in 1995, much effort has been made to develop this technology for display and lighting. A common LEC generally contains a single emissive layer blended with a salt, which provides mobile ions under a bias. Ions accumulated at electrodes facilitate electrochemical doping such that operation voltage is low even when employing high‐work‐function inert electrodes. The superior properties of simple device architecture, low‐voltage operation, and compatibility with inert metal electrode render LECs suitable for cost‐effective light‐emitting sources. In addition to enormous progress in developing novel emissive materials for LECs, optical engineering has been shown to improve device performance of LECs in an alternative way. Light outcoupling enhancement technologies recycle the trapped light and increase the light output from LECs. Techniques to estimate emission zone position provide a powerful tool to study carrier balance of LECs and to optimize device performance. Spectral tailoring of the output emission from LECs based on microcavity effect and localized surface plasmon resonance of metal nanoparticles improves the intrinsic emission properties of emissive materials by optical means. These reported optical techniques are overviewed in this review.     

A Substitution‐Dependent Light‐Up Fluorescence Probe for Selectively Detecting Fe3+ Ions and Its Cell Imaging Application

Deliberate design of specific and sensitive molecular probes with distinctive physical/chemical properties for analyte sensing is of great significance. Herein, by taking advantage of the position‐dependent substituent effects, an aggregation‐induced emission featured iron (III) probe from ortho‐substituted pyridinyl‐functionalized tetraphenylethylene (TPE‐o‐Py) is synthesized. It displays high sensitivity and selectivity toward iron (III) detection. The recognition arises from the position isomer of ortho‐substitution, and the fact that TPE‐o‐Py has a low acid dissociation constant (pK _a) that is close to that of hydrolyzed Fe³⁺. Importantly, TPE‐o‐Py as a light‐up fluorescence probe could be employed for Fe³⁺ sensing in living cells with a pronounced red‐shift in fluorescence emission.     

Controlling the Chromaticity of Small‐Molecule Light‐Emitting Electrochemical Cells Based on TIPS‐Pentacene

This work demonstrates a novel proof‐of‐concept to implement pentacene derivatives as emitters for the third generation of light‐emitting electrochemical cells based on small‐molecules (SM‐LECs). Here, a straightforward procedure is shown to control the chromaticity of pentacene‐based lighting devices by means of a photoinduced cycloaddition process of the 6,13‐bis(triisopropylsilylethynyl) (TIPS)‐pentacene that leads to the formation of anthracene‐core dimeric species featuring a high‐energy emission. Without using the procedure, SM‐LECs featuring deep‐red emission with Commission Internationale d'Eclairage (CIE) coordinates of x = 0.69/y = 0.31 and irradiance of 0.4 μW cm^?2 are achieved. After a careful optimization of the cycloaddition process, warm white devices with CIE coordinates of x = 0.36/y = 0.38 and luminances of 10 cd m^?2 are realized. Here, the mechanism of the device is explained as a host–guest system, in which the dimeric species acts as the high‐energy band gap host and the low‐energy bandgap TIPS‐pentacene is the guest. To the best of the knowledge, this work shows the first warm white SM‐LECs. Since this work is based on the archetypal TIPS‐pentacene and the photoinduced cycloaddition process is well‐knownfor any pentacenes, this proof‐of‐concept could open a new way to use these compounds for developing white lighting sources.     

Efficient Light‐Emitting Electrochemical Cells (LECs) Based on Ionic Iridium(III) Complexes with 1,3,4‐Oxadiazole Ligands

Eight new iridium(III) complexes 1‐8 , with 1,3,4‐oxadiazole (OXD) derivatives as the cyclometalated C^N ligand and/or the ancillary N^N ligands are synthesized and their electrochemical, photophysical, and solid‐state light‐emitting electrochemical cell (LEC) properties are investigated. Complexes 1 , 2 , 7 and 8 are additionally characterized by single crystal X‐ray diffraction. LECs based on complexes 1‐8 are fabricated with a structure indium tin oxide (ITO)/poly(3,4‐ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS)/cationic iridium complex:ionic liquid/Al. LECs of complexes 1 – 6 with OXD derivatives as the cyclometalated ligands and as the ancillary ligand show yellow luminescence (λ_max = 552–564 nm). LECs of complexes 7 and 8 with cyclometalated C^N phenylpyridine ligands and an ancillary N^N OXD ligand show red emission (λ_max 616–624 nm). Using complex 7 external quantum efficiency (EQE) values of >10% are obtained for devices (210 nm emission layer) at 3.5 V. For thinner devices (70 nm) high brightness is achieved: red emission for 7 (8528 cd m^?2 at 10 V) and yellow emission for 1 (3125 cd m^?2 at 14 V).     

Pure Blue Electroluminescence by Differentiated Ion Motion in a Single Layer Perovskite Device

Blue electroluminescence is highly desired for emerging light-emitting devices for display applications and optoelectronics in general. However, saturated, efficient, and stable blue emission has been challenging to achieve, particularly in mixed-halide perovskites, where intrinsic ion motion and halide segregation compromises spectral purity. Here, CsPbBr_3−xCl_x perovskites, polyelectrolytes, and a salt additive are leveraged to demonstrate pure blue emission from single-layer light-emitting electrochemical cells (LECs). The electrolytes transport the ions from salt additives, enhancing charge injection and stabilizing the inherent perovskite emissive lattice for highly pure and sustained blue emission. Substituting Cl into CsPbBr₃ tunes the perovskite luminescence from green through blue. Sky blue and saturated blue devices produce International Commission on Illumination coordinates of (0.105, 0.129) and (0.136, 0.068), respectively, with the latter meeting the US National Television Committee standard for the blue primary. Likewise, maximum luminances of 2900 and 1000 cd m⁻², external quantum efficiencies (EQEs) of 4.3% and 3.9%, and luminance half-lives of 5.7 and 4.9 h are obtained for sky blue and saturated blue devices, respectively. Polymer and LiPF₆ inclusion increases photoluminescence efficiency, suppresses halide segregation, induces thin-film smoothness and uniformity, and reduces crystallite size. Overall, these devices show superior performance among blue perovskite light-emitting diodes (PeLEDs) and general LECs.     

Dependence of Transformation Temperatures of NiTi‐based Shape‐Memory Alloys on the Number and Concentration of Valence Electrons

Dependence of transformation temperatures of ternary and quaternary NiTi‐based shape memory alloys on the number (e_v/a) and concentration (c_v) of valence electrons is investigated. Two distinct trends of transformation temperatures with respect to the number of valence electrons per atom are found depending on whether e_v/a = 7 or e_v/a ≠ 7. Clear correlations between transformation temperatures and c_v exist. M_s and A_s decrease consistently from 900 to ?100 °C, and 950 to ?30 °C, respectively, with increasing c_v from 0.145 to 0.296. The relationship of electron concentration on the elastic moduli of the NiTi‐based alloys is discussed. The possible influence of the atomic size of alloying elements on transformation hysteresis is introduced.     

Doping‐Induced Charge Trapping in Organic Light‐Emitting Devices

By using pyran‐containing donor–acceptor dyes as doping molecules in organic light‐emitting devices (OLEDs), we scrutinize the effects of charge trapping and polarization induced by the guest molecules in the electro‐active host material. Laser dyes 4‐(dicyanomethylene)‐2‐methyl‐6‐[2‐(julolidin‐9‐yl)phenyl]ethenyl]‐4H‐pyran (DCM2) and the novel 4‐(dicyanomethylene)‐2‐methyl‐6‐{2‐[(4‐diphenylamino)phenyl]ethenyl}‐4H‐pyran (DCM‐TPA) are used as model compounds. The emission color of these polar dyes depends strongly on doping concentration, which we have attributed to polarization effects induced by the doping molecules themselves. Their frontier orbital energy levels are situated within the bandgap of the tris(8‐hydroxyquinoline)aluminum (Alq₃) host matrix and allow the investigation of either electron trapping or both electron and hole trapping. In the case of DCM‐TPA doping, we were able to show that electron trapping leads to a partial shift of the recombination zone out of the doped Alq₃ region. To impede charge‐recombination processes taking place in the undoped host matrix, a charge‐blocking layer efficiently confines the recombination zone inside the doped zone and gives rise to increased luminous efficiency. For a doping concentration of 1 wt.‐% we obtain a maximum luminous efficiency of 10.4 cd A^–1. At this doping concentration, the yellow emission spectrum shows excellent color saturation with CIE chromaticity coordinates x, y of 0.49 and 0.50, respectively. In the case of DCM2 the recombination zone is much less affected for the same doping concentrations, which is ascribed to the fact that both electrons and holes are being trapped. The experimental findings are corroborated with a numerical simulation of the doped multilayer devices.     

Color-Stable,Efficient, and Bright Blue Light-Emitting Electrochemical Cell Using Ionic Exciplex Host

The lack of high-performance blue light-emitting electrochemical cells (LECs) has remained a formidable challenge for fabricating white LECs for lighting applications. Here, a ionic exciplex host is used for color-stable, efficient, and bright blue LECs by taking advantage of its facilitated carrier injection, bipolar charge-transport, and efficient energy transfer to the guest dopant. A cationic donor molecule, 1-(3-(3,6-di-tert-butyl-9H-carbazol-9-yl)phenyl)-3-methyl-1H-imidazol-3-ium hexafluorophosphate (tbuCAZ-ImMePF₆), and a cationic acceptor molecule, 1-(3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-3-ethyl-1H-imidazol-3-ium hexafluorophosphate (TRZ-ImEtPF₆), are developed to form the ionic exciplex host. The mixed film of tbuCAZ-ImMePF₆ and TRZ-ImEtPF₆ affords blue exciplex with fast reverse intersystem crossing and thermally activated delayed fluorescence. For the film doped with a blue-emitting iridium complex, energy is efficiently transferred from the exciplex to the complex. Host-guest LECs using the doped film as the active layer show stable blue emission color and high current efficiencies of up to 25.8 cd A⁻¹. More importantly, they attain simultaneously high efficiency and high brightness (14.1/17.4/16.8 cd A⁻¹ at 705/872/1680 cd m⁻²), which are the most efficient and bright host-guest blue LECs reported so far. The primary host-guest LEC also exhibits promising operational stability. The work reveals that the use of an ionic exciplex host is a promising avenue toward high-performance blue LECs.     

Energy Landscape of Vertically Anisotropic Polymer Blend Films toward Highly Efficient Polymer Light‐Emitting Diodes (PLEDs)

A blend of two hole‐dominant polymers is created and used as the light emissive layer in light‐emitting diodes to achieve high luminous efficiency up to 22 cd A^?1. The polymer blend F8_1?xSY_x is based on poly(9,9‐dioctylfluorene) (F8) and poly(para‐phenylene vinylene) derivative superyellow (SY). The blend system exhibits a preferential vertical concentration distribution. The resulting energy landscape modifies the overall charge transport behavior of the blend emissive layer. The large difference between the highest unoccupied molecular orbital levels of F8 (5.8 eV) and SY (5.3 eV) introduces hole traps at SY sites within the F8 polymer matrix. This slows down the hole mobility and facilitates a balance between the transport behavior of both the charge carriers. The balance due to such energy landscape facilitates efficient formation of excitons within the emission zone well away from the cathode and minimizes the surface quenching effects. By bringing the light‐emission zone in the middle of the F8_1?xSY_x film, the bulk of the film is exploited for the light emission. Due to the charge trapping nature of SY molecules in F8 matrix and pushing the emission zone in the center, the radiative recombination rate also increases, resulting in excellent device performance.     

Quantitative luminescence mapping of Cu(In,Ga)Se2 thin‐film solar cells

We investigate photoluminescence and electroluminescence (PL and EL) emission images from Cu(In,Ga)Se₂‐based solar cells by means of a Hyperspectral Imager. Using the generalized Planck's law, maps of the effective quasi‐Fermi level splitting Δμ_eff in absolute values are obtained. A good agreement is found between the spatially averaged splitting in PL and the global open‐circuit voltage. However, from a local carrier transport discussion, we conclude that the equality does not hold locally. The spatial variations are rather attributed to local depth variations of the quasi‐Fermi level splitting due to material properties spatial fluctuations. By comparing PL and EL emissions, we discuss qualitatively the local effective lifetimes and collection efficiencies. Copyright © 2014 John Wiley & Sons, Ltd.     

a-SiOx:H passivation layers for Cz-Si wafer deposited by hot wire chemical vapor deposition

In order to get the high photoelectric conversion efficiency a-Si:H/c-Si solar cells, high quality intrinsic hydrogenated passivation layer between the a-Si:H emitter layer and the c-Si wafer is necessary. In this work, hot wire chemical vapor deposition (HWCVD) is used to deposite intrinsic oxygen-doped hydrogenated amorphous silicon (a-SiO_x:H) and hydrogenated amorphous silicon (a-Si:H) films as the intrinsic passivation layer for a-Si:H/c-Si solar cells. The passivation effect of the films on the c-Si surface is shown by the effective lifetime of the samples that bifacial covered by the films with same deposition parameters, tested by QSSPC method. The imaginary part of dielectric constant (ε₂) and bonds structure of the layers are analyzed by Spectroscopic Ellipsometry(SE) and Fourier Transfom Infrared Spectroscopy(FTIR). It is concluded that: (1) HWCVD method can be used to make a-SiO_x:H films as the passivation layer for a-Si:H/c-Si cells and the oxidation of the filament can be overcome by optimizing the deposition parameters. In our experiments, the lowest surface recombination velocity of the c-Si wafer is 3.0 cm/s after a-SiO_x:H films passivation. (2) Oxygen-doping in the amorphous silicon layers can increase H content and the band-gap of films, similar as the phenomenon of the films deposited by PECVD.     

Thermal Conductivity of HfTe5: A Critical Revisit

Hafnium pentatelluride (HfTe₅) has attracted extensive interest due to its exotic electronic, optical, and thermal properties. As a highly anisotropic crystal (layered structure with in‐plane chains), it has highly anisotropic electrical‐transport properties, but the anisotropy of its thermal‐transport properties has not been established. Here, accurate experimental measurements and theoretical calculations are combined to resolve this issue. Time‐domain thermoreflectance measurements find a highly anisotropic thermal conductivity, 28:1:8, with values of 11.3 ± 2.2, 0.41 ± 0.04, and 3.2 ± 2.0 W m^-1 K^-1 along the in‐plane a‐axis, through‐plane b‐axis, and in‐plane c‐axis, respectively. This anisotropy is even larger than what was recently established for ZrTe₅ (12:1:6), but the individual values are somewhat higher, even though Zr has a smaller atomic mass than Hf. Density‐functional‐theory calculations predict thermal conductivities in good agreement with the experimental data, provide comprehensive insights into the results, and reveal the origin of the apparent anomaly of the relative thermal conductivities of the two pentatellurides. These results establish that HfTe₅ and ZrTe₅, and by implication their alloys, have highly anisotropic and ultralow through‐plane thermal conductivities, which can provide guidance for the design of materials for new directional‐heat‐management applications and potentially other thermal functionalities.     

Scrutinizing Design Principles toward Efficient,Long‐Term Stable Green Light‐Emitting Electrochemical Cells

Enhancing the efficiency and lifetime of light emitting electrochemical cells (LEC) is the most important challenge on the way to energy efficient lighting devices of the future. To avail this, emissive Ir(III) complexes with fluoro‐substituted cyclometallated ligands and electron donating groups (methyl and tert ‐butyl)‐substituted diimine ancillary (N^{^}N) ligands and their associated LEC devices are studied. Four different complexes of general composition [Ir(4ppy)₂(N^{^}N)][PF₆] (4Fppy = 2‐(4‐fluorophenyl)pyridine) with the N^{^}N ligand being either 2,2′‐bipyridine ( 1 ), 4.4′‐dimethyl‐2,2′‐bipyridine ( 2 ), 5.5′‐dimethyl‐2,2′‐bipyridine ( 3 ), or 4.4′‐di‐tert ‐butyl‐2,2′‐bipyridine ( 4 ) are synthesized and characterized. All complexes emit in the green region of light with emission maxima of 529–547 nm and photoluminescence quantum yields in the range of 50.6%–59.9%. LECs for electroluminescence studies are fabricated based on these complexes. The LEC based on ( 1 ) driven under pulsed current mode demonstrated the best performance, reaching a maximum luminance of 1605 cd m^?2 resulting in 16 cd A^?1 and 8.6 lm W^?1 for current and power efficiency, respectively, and device lifetime of 668 h. Compared to this, LECs based on ( 3 ) and ( 4 ) perform lower, with luminance and lifetime of 1314 cd m^?2, 45.7 h and 1193 cd m^?2, 54.9 h, respectively. Interestingly, in contrast to common belief, the fluorine content of the Ir‐iTMCs does not adversely affect the LEC performance, but rather electron donating substituents on the N^{^}N ligands are found to dramatically reduce both performance and stability of the green LECs. In light of this, design concepts for green light emitting electrochemical devices have to be reconsidered.     

Single Crystal Microwires of p‐DTS(FBTTh2)2 and Their Use in the Fabrication of Field‐Effect Transistors and Photodetectors

Single crystal microwires of a well‐studied organic semiconductor used in organic solar cells, namely p‐DTS(FBTTh₂)₂, are prepared via a self‐assembly method in solution. The high level of intermolecular organization in the single crystals facilitates migration of charges, relative to solution‐processed films, and provides insight into the intrinsic charge transport properties of p‐DTS(FBTTh₂)₂. Field‐effect transistors based on the microwires can achieve hole mobilities on the order of ≈1.8 cm² V^?1 s^?1. Furthermore, these microwires show photoresponsive electrical characteristics and can act as photoswitches, with switch ratios over 1000. These experimental results are interpreted using theoretical simulations using an atomistic density functional theory approach. Based on the lattice organization, intermolecular couplings and reorganization energies are calculated, and hole mobilities for comparison with experimental measurements are further estimated. These results demonstrate a unique example of the optoelectronic applications of p‐DTS(FBTTh₂)₂ microwires.     

Saturated and Multi‐Colored Electroluminescence from Quantum Dots Based Light Emitting Electrochemical Cells

Novel light emitting electrochemical cells (LECs) are fabricated using CdSe‐CdS (core‐shell) quantum dots (QDs) of tuned size and emission blended with polyvinylcarbazole (PVK) and the ionic liquid 1‐butyl‐3‐methylimidazolium hexafluorophosphate (BMIM‐PF₆). The performances of cells constructed using sequential device layers of indium tin oxide (ITO), poly(3,4‐ethylenedioxythiophene)‐poly(styrenesulfonate) (PEDOT:PSS), the QD/PVK/IL active layer, and Al are evaluated. Only color saturated electroluminescence from the QDs is observed, without any other emissions from the polymer host or the electrolyte. Blue, green, and red QD‐LECs are prepared. The maximum brightness (≈1000 cd m^‐2) and current efficiency (1.9 cd A^‐1) are comparable to polymer LECs and multilayer QD‐LEDs. White‐light QD‐LECs with Commission Internationale d'Eclairage (CIE) coordinates (0.33, 0.33) are prepared by tuning the mass ratio of R:G:B QDs in the active layer and voltage applied. Transparent QD‐LECs fabricated using transparent silver nanowire (AgNW) composites as the cathode yield an average transmittance greater than 88% over the visible range. Flexible devices are demonstrated by replacing the glass substrates with polyethylene terephthalate (PET).     

Hf掺杂锐钛矿TiO2电子结构的第一性原理研究

采用基于密度泛函理论的平面波超软赝势方法对Hf掺杂锐钛矿型TiO2的电子结构进行了第一性原理研究。对通过对能带和电子态密度的分析,发现在Hf掺杂后,导带底和价带顶同时降低,但是由于价带顶下降的比导带底多,从而使得锐钛矿型TiO2的禁带宽度变窄。     

Magnetic and electrical properties of layered magnets Tl(Cr,Mn,Co)Se2

Tl(Cr,Mn,Co)Se₂ crystals were synthesized at T ≈ 1050 K. X-ray diffraction analysis showed that TlCrSe₂, TlMnSe₂, and TlCoSe₂ compounds crystallize in the hexagonal crystal system with the lattice parameters: a = 3.6999 Å, c = 22.6901 Å, c/a ≈ 6.133, z = 3, ρ _x = 6.209 g/cm³; a = 6.53 Å, c = 23.96 Å, c/a ≈ 3.669, z = 8, ρ _x = 6.71 g/cm³; and a = 3.747 Å, c = 22.772 Å, c/a ≈ 6.077, z = 3, ρ _x = 7.577 g/cm³, respectively. Magnetic and electrical studies in the temperature range from 80–400 K showed that TlCrSe₂ is a semiconductor ferromagnet, TlMnSe₂ is a semiconductor antiferromagnet, and TlCoSe₂ is a ferrimagnet with a conductivity characteristic of metals. A rather large deviation in the experimental effective magnetic moment for TlCrSe₂ (3.05 μB) from the theoretical value (3.85 μB) is attributed to two-dimensional magnetic ordering in the paramagnetic region of the noticeably layered ferromagnet TlCrSe₂. In TlCrSe₂, a correlation between magnetic and electrical properties was detected.