Odd-Even Effects of Oligothiophene-based Small Molecules on the Photovoltaic Performance:A Theoretic

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：liongliong574

【摘要】

：

A class of A-D-A type oligothiophene-based small-molecule donor materials used in heterojunction solar cell has been investigated to reveal the odd-even behavior in their photovoltaic performance.

【作者】

：

Yahui Cui Houyu Zhang

【机构】

：

State Key Laboratory of Supramolecular Structure and Materials,Institute of Theoretical chemistry,Ji

【出处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年10期

【关键词】

：

odd-even effect exciton dissociation rate mobility

下载到本地 , 更方便阅读

下载此文赞助VIP

声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架

论文部分内容阅读

　　A class of A-D-A type oligothiophene-based small-molecule donor materials used in heterojunction solar cell has been investigated to reveal the odd-even behavior in their photovoltaic performance.

其他文献

四苯乙烯衍生物的激发态失活途径

聚集诱导发光1(AIE)现象的发现为有机发光材料领域打开了一扇新的大门。其中，四苯乙烯2(TPE)是常见的构建AIE 化合物的基元。

会议

AIE四苯乙烯衍生物静态电子结构计算非绝热动力学模拟光环化

基于钒氧化物团簇担载金上的H2氧化反应研究

对氢气氧化反应的研究在H2O2 合成，碳氢化合物的催化氧化等方面具有重要意义[1]。金属氧化物担载金对H2 氧化反应有独特的催化活性可作为此反应的催化剂[2]。

会议

飞行时间质谱密度泛函理论钒氧化物团簇氢气氧化

A potent source of new particle formation from sulfur-contained acid

The distribution and contribution of sulfur-based compounds in the atmospheric environment and climatic change have been of increasing interest because of the important role they played in the formati

会议

New particle formationsulfur-based acidsulfamic acid (SFA)enhancement effect

The Transition from the Single Protonation to the Double Protonation:Theoretical Studies on the Clus

Atmospheric nucleation is the dominant source of aerosol particles in the global atmosphere and an important player in aerosol climatic effects1.The sulfuric acid is the key atmospheric nucleation pre

会议

TrimethylamineSulfuric acidProton transferClusterH-bond

丙二烯与卤化氢亲电加成反应的分子形貌理论研究

本文应用分子形貌理论,在MP2/6-311+G(3df,2p)理论水平下,研究了丙二烯与HX(X=F,Cl)分子亲电加成反应的动态变化过程,探讨了沿着IRC 路径上的一些固定点分子形貌的特征以及反应过程中的活化能和络合能。

会议

亲电加成反应IRC路径Dpb分子形貌电子密度

Explicit correlation treatment of the potential energy surface and predicted infrared spectra for N2

Nitrogen and carbon monoxide are important atmospherics species,and the knowledge of their binary interaction is important for modeling and simulation of the their spectroscopy and bulk properties.

会议

Potential energy surfaceN2-COInfrared spectrum

Mechanism of Gold(I)-catalyzed Diazo Cross-Coupling of Aryldiazoacetate with Vinyldiazoacetate:A DFT

Pyrazoles and their derivatives are vital components of material sciences,medicines and synthetic intermediates[1-3].Thus,the synthesis of these species are more and more attractive.

会议

Cross-coupling reactiondensity functional theory (DFT)reaction mechanismregio

Activity tuning of the [Co4O4] cubane water oxidation catalyst by the redox-innocent cations Ca2+and

In the photosynthesis of the plants,the importance of the redox-innocent cation Ca2+of the Mn4CaO5 oxygen evolving complex[1] in catalytic function has been proposed.

会议

Redox-innocent cationCubaneWOC

Theoretical analysis of the conformational transformation mechanism of spiropyran:effects of charged

Besides the photochromism isomerization,the impact of the electrochemical conditions on the spiropyran/merocyanine(SP/MC)isomerization process is also getting more and more attention.

会议

SpiropyranMerocyanineIsomerizationEnergy barrierTransition stateSubstituent

Methanol Oxidation on Platinum Catalyst:Why does the Negatively Charged Surface Perform Better Than

Platinum (Pt) is a s tar catalyst that is now wide lyused in elec trode react ions.Veryrecent ly,growing experimenta levidences have shown that injection of electrons to the Ptcatalyst could improve t

会议

MethanolCharged Pt sur faceDehydrogenat ionDFTCatalyst

Odd-Even Effects of Oligothiophene-based Small Molecules on the Photovoltaic Performance:A Theoretic

其他学术论文