Aggregation-induced Emission Materials for High-efficiency Perovskite Solar Cells

The perovskite solar cells (PSCs) with high efficiency and stability are in great demand for commercial applications. Although the remarkable photovoltaic feature of perovskite layer plays a great role in improving the PCE of PSCs, the inevitable defects and poor stability of perovskite, etc. are the bottleneck and restrict the commercialization of PSCs. Herein, a review provides a strategy of applying aggregation-induced emission (AIE) molecules, containing passivation functional groups and distinct AIE character, which serves as the alternative materials for fabricating high-efficiency and high-stability PSCs. The methods of introducing AIE molecules to PSCs are also summarized, including additive engineering, interfacial engineering, hole transport materials and so on. In addition, the functions of AIE molecule are discussed, such as defects passivation, morphology modulation, well-matched energy level, enhanced stability, hole transport ability, carrier recombination suppression. Finally, the detailed functions of AIE molecules are offered and further research trend for high performance PSCs based on AIE materials is proposed.     

Predicting initial erosion during the hole erosion test by using turbulent flow CFD simulation

CFD simulation with enhanced modeling of turbulence and near-wall treatment is used to model water–clay mixtures flowing through a cylindrical pipe domain. Effects on the wall-shear stress resulting from varying water clay content and applied hydraulic gradient are analyzed. Various parametric studies were performed and had shown that the two-dimensional modelling introduced in the present study does not yield a uniform wall-shear stress along the pipe wall and that clay concentration affects significantly the wall-shear stress value. This is in contrast with the common hypothesis used in one-dimensional modeling approaches where this stress is assumed constant and which gives rise to uniform erosion along the pipe wall. The obtained results had enabled predicting more realistically erosion amount and had allowed for understanding the irregular eroded hole wall shape as observed experimentally after performing the standard hole erosion test.     

基于MADN空穴传输层的双层结构高效率黄绿光OLED及其阻抗谱分析

以MADN为空穴传输层,主-客掺杂体系[Alq₃∶0.7 Wt%rubrene]为发光兼电子传输层,构建了双层结构的高效率黄绿光OLED器件。该器件的黄绿光由主发光体Alq₃通过不完全能量转移到客发光体rubrene实现,电致发光峰值位于560 nm,1931CIE色坐标为(0.46, 0.52),最大发光效率达到了7.63 cd·A-1,比相应的NPB做空穴传输层的双层结构器件提高了30%。通过构建以MADN或NPB为空穴传输层的空穴单载流子器件并进行阻抗谱分析,结果表明MADN可以作为一种非常有效的空穴传输层,其空穴迁移性略低于NPB,这恰好弥补了OLED器件中空穴迁移比电子迁移快这一缺陷,为改善OLED发光层中载流子的平衡性创造了条件,从而提高了器件的发光效率。此外,MADN做空穴传输层的双层结构OLED的发光效率与传统三层结构器件(MADN和Alq₃分别作为空穴传输层和电子传输层)基本相当,表明了这种双层结构器件在简化器件结构的同时并不以牺牲发光效率为代价,发光层[Alq₃∶0.7 Wt%rubrene]兼具有优良的电子传输性能。     

空穴传输材料对CdSe核壳量子点的荧光影响

用稳态光谱和时间分辨光谱技术研究了空穴传输材料对CdSe/ZnSe 与CdSe/ZnS核壳量子点的荧光影响。结果表明,空穴传输材料对量子点有较强的猝灭作用,随空穴传输材料分子浓度的增加,量子点的荧光强度明显地被猝灭,同时量子点的荧光寿命也被减短。两种不同空穴传输分子对CdSe/ZnSe量子点的荧光猝灭明显不同。在与相同空穴传输分子相互作用时,包覆ZnS壳层的CdSe核壳量子点荧光猝灭效率明显低于包覆ZnSe壳层的CdSe核壳量子点。量子点的荧光猝灭过程可以解释为静态猝灭和动态猝灭过程,其中静态猝灭来源于量子点表面与空穴传输材料间相互作用,而动态猝灭则主要来源于量子点到空穴传输材料的空穴转移过程。实验结果表明空穴传输材料的种类以及核壳量子点的壳层结构都对其荧光猝灭效应起关键作用。     

The visible and ultraviolet organic light-emitting diodes with germanium dioxide as facile solution-processed anode buffer layer

Germanium dioxide (GeO₂) aqueous solutions are facilely prepared and the corresponding anode buffer layers (ABLs) with solution process are demonstrated. Atomic force microscopy, X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy measurements show that solution-processed GeO₂ behaves superior film morphology and enhanced work function. Using GeO₂ as ABL of organic light-emitting diodes (OLEDs), the visible device with tris(8-hydroxy-quinolinato)aluminium as emitter gives maximum luminous efficiency of 6.5 cd/A and power efficiency of 3.5 lm/W, the ultraviolet device with 3-(4-biphenyl)-4-phenyl-5-tert-butylphenyl-1,2,4-triazole as emitter exhibits short-wavelength emission with peak of 376 nm, full-width at half-maximum of 42 nm, maximum radiance of 3.36 mW/cm² and external quantum efficiency of 1.5%. The performances are almost comparable to the counterparts with poly (3,4-ethylenedioxythiophene):poly (styrenesulfonate) as ABL. The current, impedance, phase and capacitance as a function of voltage characteristics elucidate that the GeO₂ ABL formed from appropriate concentration of GeO₂ aqueous solution favors hole injection enhancement and accordingly promoting device performance.     

Persistent hole burning in semiconductor nanocrystals

The persistent spectral hole burning (PSHB) phenomenon was found to occur in many kinds of nanocrystalline semiconductors, such as CdSe, CdS, CuCl, CuBr and CuI, embedded in crystals, glass or polymers. In inhomogeneously broadened exciton absorption spectra of these nanocrystals, the spectral hole and its associated structure were created by the narrow-band laser excitation and were conserved for more than several hours at 2 K. Hole depth grew in proportion to the logarithm of the burning fluence. Thermally-annealing and light-induced hole-filling phenomena were observed. The hole burning takes place by the tunneling process through potential barriers with broadly distributed barrier height and thickness. Unusual luminescence behaviors related to the PSHB phenomena were also observed. They are luminescence elongation with increase of the light exposure and hole burning in the luminescence spectrum. The observed PSHB phenomena are explained by the exciton localization and the succeeding ionization of nanocrystals. The energy of the photoionized nanocrystal is released from the original energy and the new energies depend on the spatial arrangement of the trapped carriers. Quantum confinement of carriers and resulting strong Coulomb interaction between confined carriers and trapped carriers are essential for the energy change. Possible applications of the PSHB phenomenon is discussed.     

Nuclear Physics in Norway, 1933–1955

In the late 1940s and the 1950s, Norwegian nuclear scientists, engineers, and administrators were deeply split over their nation’s goals, organization, politics, and tools for research in nuclear physics. One faction was determined to build a nuclear reactor in Norway, while another fiercely opposed the reactor plans and focused on particle accelerators. The first faction comprised scientific entrepreneurs and research technologists, the second academic scientists, most of whom began their research careers in nuclear physics in the 1930s. To understand this conflict, I trace the development of nuclear research in Norway from the early 1930s to the mid-1950s, placing it within an international context. Roland Wittje is working on his habilitation thesis in the History of Science Unit at the University of Regensburg, Germany.     

Hole-transporting [3,3′]bicarbazolyl-based polymers and well-defined model compounds

Polymers containing bicarbazolyl moieties in the main chain have been synthesized by the modified Ullmann coupling reaction from 9H,9′H-[3,3′]bicarbazolyl and different dihalo derivatives. The number-average molecular weights of the polymers synthesized were in the range of 2500-6200 with a molecular weight distribution of 1.6-3.1. Well-defined model compounds for the polymers have been synthesized by stepwise reactions. All these compounds have been found to form glasses with glass transition temperatures in the range of 57-119 °C as characterised by differential scanning calorimetry. The electron photoemission spectra of the compounds have been recorded and the ionisation potentials of 5.35-5.4 eV have been established. Room temperature hole drift mobility of the synthesized compounds molecularly dispersed in a polymer host range from 10⁻⁶ to 3 × 10⁻⁵ cm²/V s at an electric field of 10⁶ V/cm at the room temperature.     

Photocatalytic reduction of nitrate over TiO2 and Ag-modified TiO2

This research work presents the efficiency of the TiO₂ and Ag–TiO₂ thin films prepared by the sol–gel method and coated onto the surface of 304 stainless steel sheets used in the photocatalytic nitrate reduction processes. The Ag–TiO₂ thin films had the weight by weight (w/w) ratio of Ag⁺/TiO₂ of 0.1% as Ag atom. The XRD results showed that the crystalline phase structure of TiO₂ on the Ag–TiO₂ thin films was anatase. The optical band gaps of the TiO₂ and 0.1% Ag–TiO₂ thin films were respectively 3.27 and 2.70 eV, while the surface of the prepared catalysts was hydrophobic with the respective average water contact angles of 94.8° and 118.5° for the TiO₂ and 0.1% Ag–TiO₂ thin films. The net efficiencies of photocatalytic nitrate reduction of TiO₂ and 0.1% Ag–TiO₂ were 41.4% and 70.0%, respectively. The loading of Ag only influenced the nitrate removal efficiency without affecting the stoichiometric ratio of formate to nitrate. The net stoichiometric ratio of formate to nitrate of all experiments was 2.8:1.0, which is close to the stoichiometric ratio of 2.5:1.0 of the nitrate reduction to nitrite and then to nitrogen gas.     

与蛋白质调控DNA空穴迁移相关的具有负离解能特征的亚稳态氢键

利用密度泛函理论方法研究了作为空穴迁移载体的蛋白质复合的DNA三聚体(Protonated arginine…guanine…cytosine, ArgH⁺-GC)的氢键性质. 结果表明, 空穴迁移通过该载体单元时此类氢键表现为亚稳态, 且具有明显的负离解能. 正常情况下ArgH⁺基团在大小沟均能与GC碱对形成氢键, 且具有正的离解能. 然而, 当空穴转移至此将削弱氢键至亚稳态, 使之具有一定的离解势垒和负的离解能. 这种势垒抑制的负离解能现象意味着由于空穴俘获导致此三聚体结构单元在它的ArgH⁺…N7/O6键区储存了一定的能量(约108.78 kJ/mol). 该氢键离解通道受控于此键区两个相关组分之间的静电排斥和氢键吸引之间的平衡以及这两个相反作用随氢键距离不同的衰减速率. 基于电子密度分布的拓扑性质以及键临界点的Laplacian数值分析澄清了此类特殊的能量现象主要源自通过高能氢键(ArgH⁺…N7/O6)连接的授受体间的静电排斥. 进一步空穴俘获诱导的G→C质子转移可扩展负离解能区至ArgH⁺…N7/O6和Watson-Crick(WC) 氢键区. 另外, ArgH⁺ 结合到GC的大小沟增加其电离势, 因此削弱其空穴传导能力, 削弱程度取决于ArgH⁺与GC的距离. 推而广之, 在protonated lysine-GC和protonated histidine-GC体系也可观察到类似的现象. 显然, 此类性质可调的亚稳态氢键可调控DNA空穴迁移机理. 此工作为理解蛋白质调控的DNA空穴迁移机理提供了重要的能量学信息.