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Reaction mechenism between heteropoly acid and organic matter is generation of electron-hole pair and producing of three radical such as.

杂多酸与有机物反应的机理主要是电子-空穴对的产生和。

Charge and energy transfer ; Electron-hole coherence ; Indoline dyes ; Metal-free for dyesensitized solar cells

电荷和能量转移;电子空穴相干性;吲哚染料;无金属的染料敏感太阳能电池

Comparative study of the properties of both ground and excited states of metal-free indoline dyes for dyesensitized solar cells revealed: as the number of rhodanine rings increases, the energy difference between HOMO and LUMO decreases and there is a red shift in the absorption spectrum with the binding energy increased, and the transition dipole moment decreased; Based on an analysis of cha...

对比研究吲哚染料的基态和激发态性质,揭示了随着绕丹宁环数目的增加,HOMO和LUMO的能量差减少,吸收光谱红移,但是束缚能增加,跃迁偶极矩减少;依据电荷差分密度,电荷和能量从苯乙烯转移到吲哚环和绕丹宁;电子空穴相干性主要表现在吲哚环和绕丹宁环,对于吲哚染料系统,存在一个绕丹宁环的体系的激子数目为30个原子,带有两个绕丹宁环的体系激子数目有40个原子。

Type II is more kinetically controlled, while type I is thermodynamically controlled.

加热条件下,四方形空穴结构可以完全转化成烷基链对插的结构。

Simulation conditions include Knudsen number and speed of the top driven plate in the range of Kn=10-0.0033 and Ma=0.5-2, respectively.

本文中空穴流场的模拟范围包含了Kn=10~0.0033 与 Ma=0.5~2的流场。

At the same time, such protein molecula alterations would be useful to discover the important influence of heme axial ligands on the protein's structure and properties.

为了实现细胞色素b〓的人工设计和分子改造,通过蛋白质工程方法打破这种均衡的六配位结构,创造出可能的底物结合空穴,将可望构建出具有催化活性的新金属蛋白分子。

The results showed that the LUMO values are -3.19eV for organic oxadiazole,-3.16eV for macromolecular oxadiazole and -3.21eV for Poly(1,3,4-oxadiazole) and their HOMO values are all under -6.0eV, hinting that they show good hole-blocking characteristics.

利用循环伏安法测定了三种不同类型衍生物的带隙和HOMO、LUMO能级,噁二唑类小分子、大分子、聚合物衍生物的LUMO能级分别为-3.19eV、-3.16eV、-3.21eV,有利于电子的注入,三种噁二唑衍生物的HOMO能级都在-6.0eV以下,对空穴也有很好的阻挡作用。

Phenanthroline ligand was tuned by incorporating triphenylamine group with hole-transporting nature and oxadiazole groups with electron-transporting nature into phenanthroline, which can help their europium complexes to have improved carrier-transporting property and increased luminous efficiency.

研究的主要内容有: 1通过引入三芳胺空穴传输单元和噁二唑电子传输单元,对邻菲罗啉中性配体进行分子修饰,从而改善它的铕配合物的载流子传输性能,提高铕配合物的发光效率。

Forbidden-band-width of mono-clinic phase of bismuth vanadate (mBiVO4) is high enough to 2.3-2.4 eV, it could be valence band to carry out entirely that hole band degrade organic pollutants,and the conduction band possesses high oxidizability to make for reduction of photoinduced electron,and oxidation potential of its valence band with 2.4 eV nearby could achieve decomposition of water and degradation of organic pollutants under visible light.

单斜晶相钒酸铋(mBiVO4)的禁带宽度为2.3 - 2.4 eV,它足够高的价带完全可以实现空穴对有机污染物的降解,并且导带位置也有利于光生电子的还原,具有较高的氧化能力,且其价带氧化电位位于2.4 eV附近,可实现在可见光下分解水和降解有机污染物。本文综述了mBiVO4应用于降解污染物、光解水产氧以及光电化学分解水的研究概况,及其在光催化降解有机物等领域的应用前景。

However, the photoactivity of normal TiO_2 nanoparticles do not suffice the requirement of the practical application because of its wide band gap and high combination ratio of electron-hole pair.

但是普通纳米TiO_2带隙较宽、光生电子-空穴对的复合几率高,使其活性还不能满足实际应用的需求。

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