Radiative life time of an exciton confined in a strained GaN/Ga1-xAlxN cylindrical dot: built-in electric field effects

The binding energy of an exciton in a wurtzite GaN/GaAlN strained cylindrical quantum dot is investigated theoretically.The strong built-in electric field due to the spontaneous and piezoelectric polarizations of a GaN/GaAlN quantum dot is included.Numerical calculations are performed using a variational procedure within the single band effective mass approximation.Valence-band anisotropy is included in our theoretical model by using different hole masses in different spatial directions.The exciton oscillator strength and the exciton lifetime for radiative recombination each as a function of dot radius have been computed.The result elucidates that the strong built-in electric field influences the oscillator strength and the recombination life time of the exciton.It is observed that the ground state exciton binding energy and the interband emission energy increase when the cylindrical quantum dot height or radius is decreased,and that the exciton binding energy,the oscillator strength and the radiative lifetime each as a function of structural parameters (height and radius) sensitively depend on the strong built-in electric field.The obtained results are useful for the design of some opto-photoelectronic devices.     

Phosphine Sulfide-Based Bipolar Host Materials for Blue Phosphorescent Organic Light-Emitting Diodes

Three phosphine sulfide-based bipolar host materials, viz CzPhPS, DCzPhPS, and TCzPhPS, were facilely prepared through a one-pot synthesis in excellent yields. The developed hosts exhibit superior thermal stabilities with the decomposition temperatures (T_d) all exceeding 350 °C and the melting temperatures (T_m) over 200 °C. In addition, their triplet energy (E_T) levels are estimated to be higher than 3.0 eV, illustrating that they are applicable to serve as hosts for blue phosphorescent organic light-emitting diodes (PhOLEDs). The maxima luminance, current efficiency (CE), power efficiency (PE), and external quantum efficiency (EQE) of 17,223 cd m⁻², 36.7 cd A⁻¹, 37.5 lm W⁻¹, and 17.5% are achieved for the blue PhOLEDs hosted by CzPhPS. The PhOLEDs based on DCzPhPS and TCzPhPS show inferior device performance than that of CzPhPS, which might be ascribed to the deteriorated charge transporting balance as the increased number of the constructed carbazole units in DCzPhPS and TCzPhPS molecules would enhance the hole-transporting ability of the devices to a large extent. Our study demonstrates that the bipolar hosts derived from phosphine sulfide have enormous potential applications in blue PhOLEDs, and the quantity of donors should be well controlled to exploit highly efficient phosphine sulfide-based hosts.     

Superfluidity of indirect excitons vs quantum Hall correlation in double Hall systems: Different types of physical mechanisms of correlation organization in Hall bilayers

Bilayer Hall systems can be divided into two groups—with and without tunneling of carriers across the barrier between layers. We demonstrate that these both classes differ in topology sense which leads to the distinct quantum Hall hierarchy. In the case of forbidden interlayer carrier tunneling we developed the Metropolis Monte Carlo simulation for an energy competition of the reentrant integer quantum Hall state against the superfluid Bose Einstein condensate of indirect excitons in double-layer 2D Hall systems, GaAs/GaAlAs/GaAs and b-graphene/hBN/b-graphene, with complementary layer filling, ${\nu }_{bot}+{\nu }_{top}=1$. The resulted phase diagrams for both systems have been determined in consistence with the experimental data.     

(Lu,Y)2SiO5∶Ce3+与SrSO4∶Dy3+材料低温热释光及其测试仪器的研究

为了分析材料在低温下的陷阱能级,获得更多有关缺陷结构的信息,研制了一套由STM32微控制器为核心的低温热释光发光谱测量系统。设计了低温样品室,采用液氮冷却样品;STM32通过控制加热电流,实现样品以恒定速率升温,从而获得低温热释光发光曲线或三维热释光谱。温度测量范围为85~400 K,升温速率范围为0.1~10 K/s。设计了由STM32控制X射线及紫外光源的驱动电路,用于样品的激发。采用高灵敏度CCD实现对三维热释光谱的测量,采用单光子计数器获取二维热释光发光曲线。利用该系统测试了（Lu,Y）₂SiO₅:Ce³⁺（LYSO:Ce³⁺）单晶闪烁体与SrSO₄:Dy³⁺粉末样品的热释光谱及辐射发光光谱。观察到LYSO:Ce³⁺在108,200,380 K左右的热释光峰,发光波长位于390~450 nm之间,是明显的宽带峰。在低温下由于基质的自陷激子（STE）发射所形成的发射峰在166 K时发生猝灭。在309 K时,Ce³⁺发射峰展宽为单一发射峰;SrSO₄:Dy³⁺发光峰温度为178,385 K,发光波长由Dy³⁺离子的能级跃迁决定,在480,575,660,750 nm处呈现窄带发光峰。结果表明,系统人机交互界面友好,实验数据可靠,智能化程度高,操作简单。     

High-Energy Long-Lived Emitting Mixed Excitons in Homopolymeric Adenine-Thymine DNA Duplexes

The publication deals with polymeric pA●pT and oligomeric A₂₀●T₂₀ DNA duplexes whose fluorescence is studied by time-correlated single photon counting. It is shown that their emission on the nanosecond timescale is largely dominated by high-energy components peaking at a wavelength shorter than 305 nm. Because of their anisotropy (0.02) and their sensitivity to base stacking, modulated by the duplex size and the ionic strength of the solution, these components are attributed to mixed ππ*/charge transfer excitons. As high-energy long-lived excited states may be responsible for photochemical reactions, their identification via theoretical studies is an important challenge.     

苯胺基团对一类Pt(Ⅱ)磷光发光材料非辐射跃迁调控的理论研究

采用密度泛函(DFT)和含时-密度泛函(TD-DFT)方法研究二苯胺基团对一类Pt(Ⅱ)配合物(M1～M3)光学性质的调控.通过与实验合成的分子对比,揭示苯胺基团取代位置和数量对电子结构和光学性质的调控规律.引入苯胺基团可有效地增大金属和配体的π共轭性.逐渐增多苯胺基团导致M3分子可以有效地增大吸收光谱的强度和金属到配...     

Fluorescence vs. Phosphorescence: Which Scenario Is Preferable in Au(I) Complexes with Benzothiadiazoles?

The photoluminescence of Au(I) complexes is generally characterized by long radiative lifetimes owing to the large spin-orbital coupling constant of the Au(I) ion. Herein, we report three brightly emissive Au(I) coordination compounds, 1, 2a, and 2b, that reveal unexpectedly short emission lifetimes of 10–20 ns. Polymorphs 2a and 2b exclusively exhibit fluorescence, which is quite rare for Au(I) compounds, while compound 1 reveals fluorescence as the major radiative pathway, and a minor contribution of a microsecond-scale component. The fluorescent behaviour for 1–2 is rationalized by means of quantum chemical (TD)-DFT calculations, which reveal the following: (1) S₀–S₁ and S₀–T₁ transitions mainly exhibit an intraligand nature. (2) The calculated spin-orbital coupling (SOC) between the states is small, which is a consequence of overall small metal contribution to the frontier orbitals. (3) The T₁ state features much lower energy than the S₁ state (by ca. 7000 cm⁻¹), which hinders the SOC between the states. Thus, the S₁ state decays in the form of fluorescence, rather than couples with T₁. In the specific case of complex 1, the potential energy surfaces for the S₁ and T₂ states intersect, while the vibrationally resolved S₁–S₀ and T₂–S₀ calculated radiative transitions show substantial overlap. Thus, the microsecond-scale component for complex 1 can stem from the coupling between the S₁ and T₂ states.     

Metal Coordination Effects on the Photophysics of Dipyrrinato Photosensitizers

Within this work, we review the metal coordination effect on the photophysics of metal dipyrrinato complexes. Dipyrrinato complexes are promising candidates in the search for alternative transition metal photosensitizers for application in photodynamic therapy (PDT). These complexes can be activated by irradiation with light of a specific wavelength, after which, cytotoxic reactive oxygen species (ROS) are generated. The metal coordination allows for the use of the heavy atom effect, which can enhance the triplet generation necessary for generation of ROS. Additionally, the flexibility of these complexes for metal ions, substitutions and ligands allows the possibility to tune their photophysical properties. A general overview of the mechanism of photodynamic therapy and the properties of the triplet photosensitizers is given, followed by further details of dipyrrinato complexes described in the literature that show relevance as photosensitizers for PDT. In particular, the photophysical properties of Re(I), Ru(II), Rh(III), Ir(III), Zn(II), Pd(II), Pt(II), Ni(II), Cu(II), Ga(III), In(III) and Al(III) dipyrrinato complexes are discussed. The potential for future development in the field of (dipyrrinato)metal complexes is addressed, and several new research topics are suggested throughout this work. We propose that significant advances could be made for heteroleptic bis(dipyrrinato)zinc(II) and homoleptic bis(dipyrrinato)palladium(II) complexes and their application as photosensitizers for PDT.