Bulk heterojunction organic photovoltaic cell fabricated by the electrospray deposition method using mixed organic solvent

A high‐efficiency bulk heterojunction organic photovoltaic cell (OPV) was achieved by the electrospray deposition method. The surface roughness of the P3HT:PCBM thin film can be reduced using the mixed solvent consisting of o‐dichlorobenzene (o‐DCB) and acetone. The effect of acetone concentration is related to its dielectric constant. Under an optimized concentration of acetone in o‐DCB (20 vol%), the P3HT/PCBM active layer with a smooth surface can be formed, and the power conversion efficiency of the OPV was 1.9%.

     

An analytical method for determination of fullerenes and functionalized fullerenes in soils with high performance liquid chromatography and UV detection

Fullerenes are carbon-based nanomaterials expected to play a major role in emerging nanotechnology and produced at an increasing rate for industrial and household applications. In the last decade a number of novel compounds (i.e. fullerene derivatives) is being introduced into the market and specific analytical methods are needed for analytical purposes as well as environmental and safety issues. In the present work eight fullerenes (C60 and C70) and functionalized fullerenes (C60 and C70 exohedral-derivatives) were selected and a novel liquid chromatographic method was developed for their analysis with UV absorption as a method of detection. The resulting HPLC-UV method is the first one suitable for the analysis of all eight compounds. This method was applied for the analysis of fullerenes added to clayish, sandy and loess top-soils at concentrations of 20, 10 and 5 μg kg⁻¹ and extracted with a combination of sonication and shaking extraction. The analytical method limits of detection (LoD) and limits of quantification (LoQ) were in the range of 6–10 μg L⁻¹ and 15–24 μg L⁻¹ respectively for the analytical solutions. The extraction from soil was highly reproducible with recoveries ranging from 47 ± 5 to 71 ± 4% whereas LoD and LoQ for all soils tested were of 3 μg kg⁻¹ and 10 μg kg⁻¹ respectively. No significant difference in the extraction performance was observed depending of the different soil matrices and between the different concentrations. The developed method can be applied for the study of the fate and toxicity of fullerenes in complex matrices at relatively low concentrations and in principle it will be suitable for the analysis of other types of functionalized fullerenes that were not included in this work.     

掺杂CuPc的MEH-PPV/PCBM有机太阳电池研究

采用旋涂法制备了掺杂铜酞菁(CuPc)的聚(2-甲氧基,5-(2-乙基-乙氧基)-对苯乙炔)(MEH-PPV)/ 富勒烯衍生物(PCBM)有机太阳电池. 测试结果表明:掺杂15% CuPc的MEH-PPV/PCBM太阳电池效率(1.41%)比标准的MEH-PPV/PCBM太阳电池(1.26%)提高12%. 器件的吸收谱和迁移率测试表明CuPc导致的吸收谱增强和迁移率提高是器件效率提高的主要原因. 关键词： 有机太阳电池 CuPc掺杂 MEH-PPV/PCBM器件     

超薄PCBM层提高有机太阳电池效率

为研究超薄PCBM层对有机太阳电池的影响,制备了含和不含超薄PCBM层的两种不同结构的体相异质结太阳电池,电池结构分别为:ITO/PEDOT:PSS/P3HT+PCBM/PCBM/AI,ITO/PEDOT:PSS/P3HT+PCBM/Al.测试结果表明:所制备电池的开路电压分别为0.599 2V和0.572 7 V,能量转换效率分别为2.24％、1.21％,超薄PCBM层起到了电子传输的作用.     

金属表面等离激元增强聚合物太阳电池

研究了Au纳米颗粒表面等离激元增强聚噻吩(P3HT)与富勒烯衍生物(PCBM)共混体系聚合物太阳电池的光电转换效率。Au纳米颗粒表面由双十烷基二甲基溴化铵(DDAB)修饰,能够均匀分散在活性层中。研究了Au纳米颗粒的质量分数对电池性能的影响,发现质量分数为1.2%时,电池性能最佳,转换效率高达3.76%,较未掺杂的参比电池相对提高约20%。掺入Au纳米颗粒后P3HT和PCBM共混膜光吸收显著增强,从而使电池外量子效率大大增加。电池效率的提升主要归结于Au纳米颗粒表面等离激元激发所引起的近场增强。     

基底温度对喷涂技术制备大面积有机太阳能电池性能的影响

以聚3-己基噻吩（P3HT）和富勒烯衍生物（PCBM）体系的有机太阳能电池器件为基础,采用喷涂法制备了有机太阳能电池的空穴传输层和有机功能层,研究了基底温度对薄膜的形貌和器件性能的影响,并采用喷涂技术制备了一面积为11.2 cm²的大面积有机太阳能电池器件。研究发现,随着基底温度的升高,薄膜的粗糙度下降,吸收率提高,当基底温度为130 ℃时器件的性能最优,面积为25 mm²的器件的能量转换效率为2.09%。将多个独立的小面积电池进行串联和并联,制备了有效面积为11.2 cm²的大面积有机太阳能电池组件,其能量转换效率为1.83%,在面积增大44.8倍的情况下,效率仅损失不到13%。     

F4-TCNQ concentration dependence of the current-voltage characteristics in the Au/P3HT：PCBM：F4-TCNQ/n-Si （MPS） Schottky barrier diode

In this study, we investigate some main electrical parameters of the gold/poly（3-hexylthiophene）：[6,6]-phenyl C61 bu- tyric acid methyl ester：2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane/n-type silicon （Au/P3HT：PCBM：F4-TCNQ/n- Si） metal-polymer-semiconductor （MPS） Schottky barrier diode （SBD） in terms of the effects of F4-TCNQ concentration （0%, 1%, and 2%）. F4-TCNQ-doped P3HT：PCBM is fabricated to figure out the p-type doping effect on the device per- formance. The main electrical parameters, such as ideality factor （n）, barrier height （ФB0）, series resistance （Rs）, shunt resistance （Rsh）, and density of interface states （Nss） are determined from the forward and reverse bias current-voltage （l-V） characteristics in the dark and at room temperature. The values of n, Rs, ФB0, and Nss are significantly reduced by using the 1% F4-TCNQ doping in P3HT：PCBM：F4-TCNQ organic blend layer, additionally, the carrier mobility and current are increased by the soft （1%） doping. The most ideal values of electrical parameters are obtained for 1% F4-TCNQ used diode. On the other hand, the carrier mobility and current for the hard doping （2%） become far away from the ideal diode values due to the unbalanced generation of holes/electrons and doping-induced disproportion when compared with 1% F4-TCNQ doping. These results show that the electrical properties of MPS SBDs strongly depend on the F4-TCNQ doping and doping concentration of interfacial P3HT：PCBM：F4-TCNQ organic layer. Moreover, the soft F4-TCNQ dop- ing concentration （1%） in P3HT：PCBM：F4-TCNQ organic layer significantly improves the electrical characteristics of the Au/P3HT：PCBM：F4-TCNQ/n-Si （MPS） SBDs which enables the fabricating of high-quality electronic and optoelectronic devices.     

推/拉电子取代基对PCBM结构及光谱性质影响的理论研究

应用密度泛函理论(DFT)方法计算[6,6]-苯基-C₆₁-丁酸甲酯(PCBM)及其苯环对位取代得到的4种衍生物的几何和电子结构. 采用第一激发能校正了分子的最低未占据分子轨道(LUMO)能级, 探讨了推/拉电子基团对分子前线轨道的影响. 在全优化几何构型的基础上, 采用含时密度泛函理论(TD-DFT)方法研究了电子吸收光谱特征和电荷转移态性质, 并讨论了推/拉电子基团对体系电子吸收光谱性质的影响. 通过对重组能和电子亲和势的计算, 预测了PCBM与4种衍生物的电子能力及电子迁移率大小的关系. 结果表明, 在PCBM中, 在苯环的对位引入推电子基团可以提高分子的前线轨道能级, 改变前线轨道电子云分布, 明显增强可见光范围内的吸收强度, 增加可见光范围内的电荷转移吸收, 且激发态的电荷转移随着引入基团推电子能力的增加而增强. 化合物5的激发态分子内电荷转移性质最强, 且具有较独特的光伏性质. 而在同样位置引入拉电子基团, 则降低了分子前线轨道能级对电子吸收光谱的影响.     

New small organic molecules based on thieno[2,3-b]indole for efficient bulk heterojunction organic solar cells: a computational study

ABSTRACT

This study aims to evaluate the characteristics of novel organic D-π-A-π-D class small-molecules by using carefully the density functional theory, and time-dependent density functional theory calculations. Thedesigned sequence of (D-A) BHJ-1a to BHJ-4a in organic Bulk Heterojunction (BHJ) solar cells has been comprehensively analysed. Thiéno[2,3-b]indole (TI) has been used as donor, and Diketopyrrolopyrrole (DPP) as acceptor for all compounds. In order to improve the electronic, photovoltaic, and opticalproperties, we have substituted thiophene unit with furan, thieno[2,3-b]thiophene, thiazole and thiazolothiazole as π-bridge moieties. Thus, the result shows that the wise choice of the π-bridge units plays a significant role in improving E_gap, producing a high bathochromic shift, and increasing V_OC as well as a theoretical power conversion efficiency (PCE) over 7%. Interestingly, BHJ-4a with suitable π-bridge presents the optimal electronic properties with low band gap (1.870?eV) and high V_OC (1.534?eV). Furthermore, we have modelled a Bulk heterojunction organic photovoltaic cells based on donor-PCBM complex in order to achieve the optimum E_gap and V_OC. Consequently, the obtained results provide a new way to design BHJ small molecule donors with higher power conversion efficiency.     

Optical order of the polymer phase within polymer/fullerene blend films

This study reports on how the degree of polymer order within a polymer/fullerene blend can be investigated by spectroscopic methods. Non‐annealed blend compositions with 0–80 wt % fullerene content were analyzed using temperature dependent photoluminescence (PL) and room temperature spectroscopic ellipsometry (SE) measurements. To evaluate the SE data with respect to the optical order, an optical model was developed, including a lower and higher ordered polymer phase within a fullerene matrix. This was done using an effective medium approach describing the polymer by combining lower and higher ordered polymer properties (polymer‐EMA). The polymer/fullerene blend was then evaluated using another EMA consisting of the polymer‐EMA and the dielectric function of the disordered fullerene. The degree of optical order obtained by SE, was confirmed using another independent measurement, photoluminescence spectroscopy, according to the method of Francis C. Spano (2005). The volume fraction of the ordered polymer within the polymer‐EMA was found to be between 70 and 60 vol % for fullerene contents lower than 20 wt % in the polymer/fullerene blend. Above 20 wt % fullerene, the optical order of the polymer strongly decreases all the way down to 0 vol %. In contrast to the complementary performed X‐ray diffraction measurements, which address only the long‐range structural order of the blends, we give quantitative information on the optical order, including information on the composition, that is, volume fractions of the higher and lower ordered polymer. The gained information on the tilt of the polymer molecules with respect to the substrate is discussed comparing XRD results from the literature with those obtained by our SE model. Finally, the developed model is used to describe the influence of the P3HT molecular weight on the optical order. Results obtained with our model were compared to the structural data and mobility data in the literature. © 2012 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012