Meta Junction Promoting Efficient Thermally Activated Delayed Fluorescence in Donor-Acceptor Conjugated Polymers

The meta junction is proposed to realize efficient thermally activated delayed fluorescence (TADF) in donor–acceptor (D-A) conjugated polymers. Based on triphenylamine as D and dicyanobenzene as A, as a proof of concept, a series of D-A conjugated polymers has been developed by changing their connection sites. When the junction between D and A is tuned from para to meta, the singlet–triplet energy splitting (ΔE_ST) is found to be significantly decreased from 0.44 to 0.10 eV because of the increasing hole–electron separation. Unlike the para-linked analogue with no TADF, consequently, the meta-linked polymer shows a strong delayed fluorescence. Its corresponding solution-processed organic light-emitting diodes (OLEDs) achieve a promising external quantum efficiency (EQE) of 15.4 % (51.9 cd A⁻¹, 50.9 lm W⁻¹) and CIE coordinates of (0.34, 0.57). The results highlight the bright future of D-A conjugated polymers used for TADF OLEDs.     

Ag3PO4量子点/石墨相氮化碳纳米片复合光催化剂的制备及其对苯甲醇选择性氧化活性

以热氧化剥离法得到的超薄石墨相氮化碳(g-C₃N₄)纳米片为载体,首次在室温条件下,制备了系列Ag₃PO₄量子点/g-C₃N₄纳米片复合光催化剂;通过透射电子显微镜(TEM)、高分辨透射电子显微镜(HRTEM)、X射线衍射(XRD)、傅里叶变换红外光谱(FT-IR)、紫外-可见漫反射光谱(UV-Vis DRS)、荧光光谱(PL),对复合光催化剂的形貌、结构和光学性质进行了表征,考察了系列光催化剂对苯甲醇的光催化选择性氧化性能。 结果表明,粒径为3~5 nm Ag₃PO₄颗粒均匀分散g-C₃N₄纳米片上,结晶度良好。 以乙腈为溶剂时,当m(Ag₃PO₄)/m(g-C₃N₄)=0.6时,苯甲醇具有32.1%的最大转化率,对产物苯甲醛具有90%的最高选择性;活性物种捕捉实验结果表明,该催化氧化反应的主要活性物是光生空穴的氧化作用,能带计算结果表明,该复合催化剂结构具有合适的苯甲醇的氧化电位而选择性生成苯甲醛。     

Designing Hole Transport Materials with High Hole Mobility and Outstanding Interface Properties for Perovskite Solar Cells

Organic–inorganic halide perovskite solar cells (PSCs) have attracted much attention due to their rapid increase in power conversion efficiencies (PCEs), and many efforts are devoted to further improving the PCEs. Designing highly efficient hole transport materials (HTMs) for PSCs may be one of the effective ways. Herein we theoretically designed three new HTMs (FDT−N, FDT−O, and FDT−S) by introducing a nitrogen-phenyl group, an oxygen atom, and a sulfur atom into the spiro core of an experimentally synthesized HTM (FDT), respectively. And then we performed quantum chemical calculation to study their application potential. The results show that the devices with FDT−O and FDT−S instead of FDT may have higher open circuit voltages owing to their lower highest occupied molecular orbital (HOMO) energy levels. Moreover, FDT−S exhibits the best hole transport performance among the studied HTMs, which may be due to the significant HOMO-HOMO overlap in the hole hopping path with the largest transfer integral. Furthermore, the results on interface properties indicate that introducing oxygen and sulfur atoms can enhance the MAPbI₃/HTM interface interaction. The present work not only offers two promising HTMs (FDT−O and FDT−S) for PSCs but also provides theoretical help for subsequent research on HTMs.     

Exact Hawking radiation of scalars,fermions, and bosons using the tunneling method without back-reaction

Hawking radiation is studied for arbitrary scalars, fermions and spin-1 bosons, using a tunneling approach, to every order in ? but ignoring back-reaction effects. It is shown that the additional quantum terms yield no new contribution to the Hawking temperature. Indeed, it is found that the limit of small ? in the standard quantum WKB approximation is replaced by the near-horizon limit in the gravitational WKB approach.     

EDOT‐diketopyrrolopyrrole copolymers for high bulk hole mobility and near infrared absorption

To obtain novel low‐bandgap materials with tailored hole‐transport properties and extended absorption, electron rich 3,4‐ethylenedioxythiophene is introduced as a comonomer in diketopyrrolo[3,4‐c]pyrrole copolymers with different aryl flanking units. The polymers are characterized by absorption and photoluminescence spectroscopy, dynamic scanning calorimetry, cyclic voltammetry, and X‐ray diffraction. The charge transport properties of these new materials are studied carefully using an organic field effect transistor geometry where the charge carriers are transported over a narrow channel at the semiconductor/dielectric interface. These results are compared to bulk charge carrier mobilities using space‐charge limited current (SCLC) measurements, in which the charge carrier is transported through the complete film thickness of several hundred nanometers. Finally, charge carrier mobilities are correlated with the electronic structure of the compounds. We find that in particular the thiophene‐flanked copolymer PDPP[T]₂‐EDOT is a very promising candidate for organic photovoltaics, showing an absorption response in the near infrared region with an optical bandgap of 1.15 eV and a very high bulk hole mobility of 2.9 × 10^?4 cm² V^?1 s^?1 as measured by SCLC. This value is two orders of magnitudes higher than SCLC mobilities reported for other polydiketopyrrolopyrroles and is in the range of the well‐known hole transporting polymer poly(3‐hexylthiophene). © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016 , 54, 639–648     

Schwarzschild black hole as moving puncture in isotropic coordinates

The success of the moving puncture method for the numerical simulation of black hole systems can be partially explained by the properties of stationary solutions of the 1 + log coordinate condition. We compute stationary 1 + log slices of the Schwarzschild spacetime in isotropic coordinates in order to investigate the coordinate singularity that the numerical methods have to handle at the puncture. We present an alternative integration method to obtain isotropic coordinates that simplifies numerical integration and that gives direct access to a local expansion in the isotropic radius near the puncture. Numerical results have shown that certain quantities are well approximated by a function linear in the isotropic radius near the puncture, while here we show that in some cases the isotropic radius appears with an exponent that is close to but unequal to one. This paper is dedicated to the memory of Jürgen Ehlers. I have known JE for a number of years, in particular during his time as founding director of the Albert Einstein Institute in Potsdam. JE was the mentor of my habilitation thesis in 1996, and I am deeply thankful for many insightful discussions. JE combined great breadth and physical intuition with sharp analytical thought. His example inspired me to look beyond the numerical methods and results of numerical relativity to the analytic foundations. For example, while at the AEI, S. Brandt and I introduced “puncture initial data” for the numerical construction of general multiple black hole spacetimes [3]. While the puncture construction starts with an analytic trick of the sort that numerical relativists may devise, it is fair to say that the keen interest in analytical relativity created by JE at the AEI induced us to push our analysis one step further. As a result [3] connects to [26] for an existence and uniqueness proof for such black hole initial data, using weighted Sobolev spaces (see also [4–6]). The present work and its predecessors [9–12] represent an example where numerical experiments led to the discovery of an analytic solution for the 1 + log gauge for the Schwarzschild solution, and the present result, although modest, is of the type which I believe JE would have appreciated.     

Quantum black hole and the modified uncertainty principle

Recently Ali et al. (2009) [13] proposed a Generalized Uncertainty Principle (or GUP) with a linear term in momentum (accompanied by Planck length). Inspired by this idea we examine the Wheeler-DeWitt equation for a Schwarzschild black hole with a modified Heisenberg algebra which has a linear term in momentum. We found that the leading contribution to mass comes from the square root of the quantum number n which coincides with Bekenstein?s proposal. We also found that the mass of the black hole is directly proportional to the quantum number n when quantum gravity effects are taken into consideration via the modified uncertainty relation but it reduces the value of mass for a particular value of the quantum number.