Terahertz radiation from pentacene organic diode at room temperature

We investigate terahertz radiation(T-rays) from a pentacene organic diode at room temperature. The quantum chemistry calculation for frequency-related Huang–Rhys factor of pentacene is also carried out. The results demonstrate that the T-rays can come from a bending vibration of pentacene skeleton after the energy of pentacene exciton transferring to the vibrational excited state via electron–phonon coupling. Frequency and natural bond orbital analytics of pentacene and its derivatives are performed in order to explain the result and develop new materials to get higher emission. This work provides a new way to produce T-rays with a simple device at room temperature.     

Nucleophilic Activation of Sulfur Hexafluoride by N-Heterocyclic Carbenes and N-Heterocyclic Olefins: A Computational Study

Sulfur hexafluoride (SF₆) is considered as a potent greenhouse gas, whose effective degradation is challenging. Here we report a computational study on the nucleophilic activation of sulfur hexafluoride by N-heterocyclic carbenes and N-heterocyclic olefins. The result shows that the activation of SF₆ is both thermodynamically and kinetically favorable at mild condition using NHOs with fluoro-substituted azolium and sulfur pentafluoride anion being formed. The Gibbs free energy barrier during the activation of SF₆ has a linear relationship with the energy of HOMO of substrates, which could be a guideline for applying those compounds that feature higher energy in HOMO to activate SF₆ in high efficiency.     

基于JAVA建立树形结构的算法优化

树形结构在程序设计过程具有非常重要的作用,但树形结构的构建相对比较复杂。通过研究设计并实现一种从普通Java对象中建立树形结构的优化算法。     

Polyvinylpyrrolidone and graphene-modified hematite nanoparticles for efficient electrocatalytic oxidation of p-nitrophenol

Journal of Solid State Electrochemistry - Polyvinylpyrrolidone (PVP) and graphene (G)-modified iron oxides (Fe2O3-PVP-G) are prepared by a simple hydrothermal reaction. Their morphology and...     

12β-Acetyloxyperforatin,a New Limonoid from Harrisonia Perforata

A new A, D-seco limonoid, named 12-acetyloxyperforatin (1), along with three known ones, were isolated from the leaves of Harrisonia perforata. Their structures were elucidated on the basis of spectroscopic analysis, including extensive NMR techniques and computational modelling. These compounds showed no inhibitory activity against the 11β-HSD1 enzyme.     

迹为整数的3×3阶正交矩阵的谱

讨论了3×3阶正交矩阵的特征值和迹的关系,证明了迹为整数的3×3阶正交矩阵的谱可由迹确定,为应用广泛的3×3阶正交矩阵的谱的计算提供了简单实用的方法.     

基于随机机器故障的柔性作业车间动态调度

为了有效快速地应对生产过程中出现的随机机器故障,构建了一个故障机器可恢复的动态柔性作业车间调度模型,采用事件和周期混合驱动的方式,设计了一个组合重调度策略.在组合重调度策略中,将改进的二叉树右移重调度与完全重调度进行组合,引入序位偏差和完工时间偏差为重调度评价指标,对重调度方法进行选择,并且在精英选择遗传算法(elite selection genetic algo-rithm,ESGA)基础上,对精英选择策略进行改进,以防止陷入局部最优.试验算例仿真结果表明,动态调度算法对随机机器故障下的柔性作业车间动态调度是有效的.