Time-resolved photoluminescence study of excited states in nanostructured melanin

Abstract

Time resolved emission spectra (TRES), 3D maps of photoluminescence excitation-emission (PLE maps), 3D maps of TRES, and kinetics of photoluminescence (PL) spectra of natural and synthetic melanin, as well as melanin composites with surfactant, sodium dodecyl benzenesulfonate, have been studied. The kinetics of PL and TRES for the melanin and the composites were investigated at low temperatures that allowed to discuss melanin’s intermolecular complexation, nano-aggregation and formation of charge transfer states. Particularly, the radiation of Frenkel excitons from fragments of different degrees of conjugation that are the parts of molecular nanodisks of melanin is observed. Furthermore, charge transfer excitons (CT-excitons) can be formed and observed at both room and helium temperatures. Some bands in the PL spectra of melanin, depending on temperature, behave like excimer radiation. The studies are aiming to understand the electronic properties of various melanins, particularly natural ones.     

新组合模型在光电功率预测中的应用

为提高光伏预测要求的精准性,文章提出一种新算法将神经网络和ARMA算法改进组合,构成NEW ARMA-BP模型算法.以某30兆瓦的光伏电站采集的输出功率为输入样本,基于ARMA和BP神经网络算法在Matlab环境下依次搭建了相应的预测模型,预估光伏短期输出量.采用"误差正态检验图"判断基于两种不同算法的误差水平,依据两种单模型预测误差,运用所提出的新方法计算权值并获得新的预测值.基于Matlab的仿真结论验证了组合预测在光伏输出预测领域的适用性.     

Combined Spectroscopic and TD-DFT Analysis to Elucidate Substituent and Acidochromic Effects in Organic Dyes: A Case Study on Amino- versus Nitro-Substituted 2,4-Diphenylquinolines

A combined spectroscopic and TD-DFT case study was performed, to identify a robust method to calculate the complex near UV/Vis absorption spectra of various amino- vs. nitro-substituted 2,4-diphenylquinolines, which vary strongly under neutral and successively acidic conditions. For this, different DFT functionals were tested for geometry optimization and the TD part to calculate the neutral and different protonated species in a fast screening approach, i. e. using single point calculations in an implicit solvent. Offset-corrected M06HF, hitherto only applied to polymers, was identified as a suitable method to reproduce the absorption spectra in a reasonable fashion for all different substitution pattern and all different protonated species at different pH values; moreover, the method properly predicts the energetic ordering of low-lying n-π* and ππ* transitions, which is decisive for the non-/emissive nature of the different compounds. In all, this might provide a valuable tool for computer-aided design of related classes of compounds.     

Energy conditions of the f(T,B) gravity dark energy model with the validity of thermodynamics

In this article, the analysis of Tsallis holographic dark energy(which turns into holographic dark energy for a particular choice of positive non-additivity parameter δ) in modified f(T, B) gravity with the validity of thermodynamics and energy conditions for a homogeneous and isotropic FLRW Universe has been studied. The enlightenment of the field equation towards f(T,B)=αT~m+βB~n, made possible by the fact that the model is purely accelerating,corresponds to q=-0.54(Mamon and Das 2017 Eur. Phys.J.C 77 49). The generalized second law of thermodynamics is valid not only for the same temperature inside the horizon, but also for the apparent horizon for a change in temperature. The essential inspiration driving this article is to exhibit the applicability that the holographic dark energy achieved from standard Tsallis holographic dark energy and the components acquired from f(T, B) gravity are identical for the specific bounty of constants. The analysis of energy conditions confirms that the weak energy condition and the null energy condition are fulfilled throughout the expansion, while violation of the strong energy condition validates the accelerated expansion of the Universe.With the expansion, the model becomes a quintessence dominated model. The dominant energy condition is not observed initially when the model is filled with genuine baryonic matter,whereas it appears when the model is in the quintessence dominated era.     

Emergence of a non-Fowler-Nordheim-type behavior for a general planar tunneling barrier

In this work we investigate a generalized tunneling barrier for planar emitters at zero-temperature. We present the evidence of the emergence of a non-Fowler-Nordheim-type general behavior for the field emission current density in the case that the Fermi energy (μ) is comparable with or smaller that the decay width ($d_F$). Therefore, for some non-metals or materials that have very small Fermi energy the standard Fowler-Nordheim-type theory may require a correction. In the opposite regime, i.e., for μ much larger that $d_F$, we confirm that the conventional theory is suitable for metals.     

窄线宽光纤激光器在1030 nm波段实现3 kW近衍射极限输出

基于大模场面积掺镱光纤搭建了全光纤1030 nm高功率窄线宽光纤激光主振荡功率放大系统,实现了3004 W的最高功率输出,斜率效率69.27%,是目前报道的输出功率最高的1030 nm波段近衍射极限光纤激光器。最高输出功率时,x,y方向的光束质量因子分别为1.169,1.174,3 dB光谱宽度为0.18 nm,放大自发辐射抑制比达到37 dB。     

OH+C2H3F的反应机理及产物支化比反应的理论研究

本文对HOC₂H₃F可能解离通道的势能面进行从头算CCSD(T)/CBS//B3LYP/6-311G(d，p)计算，同时对速率常数进行Rice-Ramsperger-Kassel-Marcus计算. 生成主要产物CH₂CHO+HF最有利的反应途径是OHC₂H₃F→i2→TS14→i6→TS9→i3→TS3→CH₂CHO+HF，其中速率决定步骤是HF通过TS11从CO桥接位置解离，能量比反应物高3.8 kcal/mol. 借助中间态TS14，F原子从C_α迁移到C_β位置生成CH₂O+CH₂F，然后通过中间态TS16，H从O迁移到C_α位置；通过中间态TS5，C-C键断裂生成产物，其能量比反应物低1.8 kcal/mol，比TS11低4.0 kcal/mol.     

Absorption enhancement of ultrathin crystalline silicon solar cells with frequency upconversion nanosphere arrays

A design of ultrathin crystalline silicon solar cells patterned with α-NaEr_(0.2)Y_(0.8)F_4 upconversion nanosphere(NSs) arrays on the surface was proposed. The light trapping performance ofα-NaEr_(0.2)Y_(0.8)F_4 NSs with different ratios of sphere diameter to sphere pitch was systematically studied by COMSOL Multiphysics. The influence of different NS diameters and ratio to the average optical absorption of ultrathin crystalline silicon solar cell was calculated, as well as the short circuit current densities. The results show that the average optical absorption of solar cells with 2.33 μm silicon covered by α-NaEr_(0.2)Y_(0.8)F_4 NSs of 100 nm in diameter and 5.2 in ratio has improved by 8.5% compared to planar silicon solar cells with the same thickness of silicon. The light trapping performance of different thicknesses of silicon solar cells with the optimized configuration of NSs was also discussed. The results indicate that our structure enhances the light absorption. The presented model will be the basis for further simulations concerning frequency upconversion of α-NaEr_(0.2)Y_(0.8)F_4 materials.     

Aharonov–Bohm effect for bound states on spin-0 massive charged particles in a Gödel-type space–time with Coulomb potential

In this paper, we investigate the relativistic quantum dynamics of spin-0 massive charged particles in a Gödel-type space–time with electromagnetic interactions. We derive the radial wave equation of the Klein–Gordon equation with an internal magnetic flux field and Coulomb-type potential in the Som–Raychaudhuri space–time with cosmic string. We solve this equation and analyze the analog effect in relation to the Aharonov–Bohm effect for bound states.     

Variational theory for the ground state and collective excitations of an elongated dipolar condensate

We develop a variational theory for a dipolar condensate in an elongated(cigar shaped)confinement potential. Our formulation provides an effective one-dimensional extended meanfield theory for the ground state and its collective excitations. We apply our theory to investigate the properties of rotons in the system comparing the variational treatment to a full numerical solution. We consider the effect of quantum fluctuations on the scattering length at which the roton excitation softens to zero energy.