Crystallization of Sensitizers Controls Morphology and Performance in Si-/C-PCPDTBT-Sensitized P3HT:ICBA Ternary Blends
Crystallization of Sensitizers Controls Morphology and Performance in Si-/C-PCPDTBT-Sensitized P3HT:ICBA Ternary Blends
复制标题
DOI：
10.1021/acs.macromol.6b02699
复制
发表时间：
2017-03-28
期刊：
影响因子：
5.5
通讯作者：
Ameri, Tayebeh
中科院分区：
文献类型：
--
作者：
Du, Xiaoyan;Jiao, Xuechen;Ameri, Tayebeh
基于多元半晶组件的有机太阳能电池有望进一步提高器件性能。形态和功能之间复杂的相互作用需要进一步研究。在这里，我们报告了对原型三元体系在添加化学结构相似但结晶度显着不同的敏化剂后的形态演化的系统研究，即聚（3-己基噻吩）（P3HT）和茚-C60-双加合物（ICBA）与聚[（4,4'-双（2-乙基己基）二噻吩并[3,2-b:2',3'-d]的混合物噻咯)-2,6-二基-alt-(4,7-双(2-噻吩基)2,1,3-苯并噻二唑)-5,5'-diy1](Si-PCPDTBT)和聚[2,6-(4,4-双(2-乙基己基)-4H-环戊基[2,1-b; 3,4-b']-二噻吩)-alt-4,7-(2,1,3-苯并噻二唑)] (C-PCPDTBT)，采用能量过滤透射电子显微镜 (EFTEM) 和共振软 X 射线散射 (RSoXS)。此外，采用组合密度泛函理论（DFT）和人工神经网络（ANN）计算方法来计算溶解度参数和Flory Huggins分子间参数，以评估混溶性对最终形态的影响。我们的实验表明，富含 ICBA 的结构域的结构域间距和纯度在基于 SiPCPDTBT 的系统中得以保留，但在基于 C-PCPDTBT 的三元系统中大大降低。 P3HT纤维结构在低敏化剂含量下得以保留，但在高敏化剂含量下显着降低。理论计算揭示了两种敏化剂与 ICBA 以及 P3HT 之间非常相似的混溶性/相容性。因此，我们得出结论，Si-PCPDTBT 的结晶主要驱动三元体系中纳米结构的演变，而基于 CPCPDTBT 的三元共混物中不存在这种驱动力。
Organic solar cells based on multinary semi-crystalline components are promising to further boost the device performance. The complex interplay of the morphology and functionality needs further investigations. Here, we report on a systematic study on the morphology evolution of prototype ternary systems upon adding sensitizers featuring similar chemical structures but dramatically different crystallinity, namely poly(3-hexylthiophene) (P3HT) and indene-C60-bis-adduct(ICBA) blends with poly[(4,4'-bis(2-ethylhexyl)dithieno[3,2- b:2',3'-d] silole)-2,6-diyl-alt-(4,7-bis (2-thienyl) 2,1,3-benzothiadi-azole)-5,5'-diy1] (Si-PCPDTBT) and poly[2,6- (4,4-bis (2-ethylhexyl)-4H-cyclopenta[2,1-b; 3,4-b']-dithiophene)-alt-4,7-(2,1,3-benzothiadiazole)] (C-PCPDTBT), employing energy-filtered transmission electron microscopy (EFTEM) and resonant soft X-ray scattering (RSoXS). In addition, a combined density functional theory (DFT) and artificial neuronal network (ANN) computational approach has been utilized to calculate the solubility parameters and Flory Huggins intermolecular parameters to evaluate the influence of miscibility on the final morphology. Our experiments reveal that the domain spacing and purity of ICBA-rich domains are retained in SiPCPDTBT-based systems but are strongly reduced in C-PCPDTBT-based ternary systems. The P3HT fiber structure are retained at low sensitizer content but dramatically reduced at high sensitizer content. The theoretical calculations reveal very similar miscibility/compatibility between the two sensitizers and ICBA as well as P3HT. Thus, we conclude that mainly the crystallization of Si-PCPDTBT drives the nanostructure evolution in the ternary systems, while this driving, force is absent in CPCPDTBT-based ternary blends.