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Manipulating Backbone Structure to Enhance Low Band Gap Polymer Photovoltaic Performance

机译：操纵骨干结构以增强低带隙聚合物光伏性能

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摘要

A pair of polymers, PBDTBT and PBDTDTBT, was synthesized for application in polymer solar cells (PSCs). Although these two polymers have similar absorption bands and molecular energy levels, PBDTDTBT exhibits much better photovoltaic performance in polymer solar cell (PSC) devices with power conversion efficiency (PCE) of 7.4%. To understand the differences between PBDTDTBT and PBDTBT, we have investigated the correlations of the molecular structure, morphology, dynamics and efficiency of these two polymers. A theoretical investigation using density functional theory (DFT) and time-dependent DFT (TDDFT) has been employed to investigate the electron density and electron delocalization extent of the unimers. TEM data showed that PBDTDTBT phase separates from PC_(71)BM, while PBDTBT suffers from having a proper morphology on different processing conditions. Crazing incidence wide angle X-ray diffraction (CIWAXD) was used to probe the crystal structure of the polymers in thin film. A polymorph crystal structure was observed for PBDTBT. Crazing incidence small angle X-ray scattering (CISAXS) was used to probe the size scale of phase separation, with an optimized 25 nm feature size observed for PBDTDTBT/PC_(71)BM blends, which agrees well with TEM results. Femtosecond transient absorption (TA) spectroscopy was used to probe the dynamics of the fundamental processes in organic photovoltaic (OPV) materials, such as charge separation and recombination. The enhanced absorption coefficient, good charge separation, optimal phase separation and higher charge mobility all contribute to the high PCE of the PBDTDTBT/PC_(71)BM devices.
机译：合成了一对聚合物PBDTBT和PBDTDTBT，用于聚合物太阳能电池（PSC）。尽管这两种聚合物具有相似的吸收带和分子能级，但是PBDTDTBT在聚合物太阳能电池（PSC）器件中表现出更好的光伏性能，功率转换效率（PCE）为7.4％。为了了解PBDTDTBT和PBDTBT之间的差异，我们研究了这两种聚合物的分子结构，形态，动力学和效率之间的相关性。已使用密度泛函理论（DFT）和时变DFT（TDDFT）进行了理论研究，以研究单体的电子密度和电子离域程度。 TEM数据表明，PBDTDTBT相与PC_（71）BM相分离，而PBDTBT在不同的加工条件下具有适当的形态。裂纹入射广角X射线衍射（CIWAXD）用于探测薄膜中聚合物的晶体结构。观察到PBDTBT具有多晶型物晶体结构。裂纹入射小角X射线散射（CISAXS）用于探测相分离的尺寸尺度，对于PBDTDTBT / PC_（71）BM共混物，观察到优化的25 nm特征尺寸，这与TEM结果非常吻合。飞秒瞬态吸收（TA）光谱用于探测有机光伏（OPV）材料中基本过程的动力学，例如电荷分离和重组。增强的吸收系数，良好的电荷分离，最佳的相分离和更高的电荷迁移率都有助于PBDTDTBT / PC_（71）BM器件的高PCE。

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  • 来源
    《Advanced energy materials》 |2013年第7期|930-937|共8页
  • 作者

    Ye Huang; Feng Liu; Xia Guo; Wei Zhang; Yu Gu; Jianping Zhang; Charles C. Han; Thomas P. Russell; Jianhui Hou;

  • 作者单位

    Key Laboratory of Polymer Physics and Chemistry Beijing National Laboratory for Molecular Sciences Institute of Chemistry, Chinese Academy of Sciences Beijing 100190, China;

    Department of Polymer Science and Engineering University of Massachusetts Amherst, Massachusetts 01003, USA;

    Key Laboratory of Polymer Physics and Chemistry Beijing National Laboratory for Molecular Sciences Institute of Chemistry, Chinese Academy of Sciences Beijing 100190, China;

    Department of Chemistry Renmin University of China Beijing, 100872, China;

    Department of Polymer Science and Engineering University of Massachusetts Amherst, Massachusetts 01003, USA;

    Department of Chemistry Renmin University of China Beijing, 100872, China;

    Key Laboratory of Polymer Physics and Chemistry Beijing National Laboratory for Molecular Sciences Institute of Chemistry, Chinese Academy of Sciences Beijing 100190, China;

    Department of Polymer Science and Engineering University of Massachusetts Amherst, Massachusetts 01003, USA;

    Key Laboratory of Polymer Physics and Chemistry Beijing National Laboratory for Molecular Sciences Institute of Chemistry, Chinese Academy of Sciences Beijing 100190, China;

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