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Quantifying organic solar cell morphology: a computational study of three-dimensional maps

机译：量化有机太阳能电池的形态：三维图的计算研究

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摘要

Establishing how fabrication conditions quantitatively affect the morphology of organic blends opens the possibility of rationally designing higher efficiency materials; yet such a relationship remains elusive. One of the major challenges stems from incomplete three-dimensional representations of morphology, which is due to the difficulties of performing accurate morphological measurements. Recently, three-dimensional measurements of mixed organic layers using electron tomography with high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) provided maps of morphology with high resolution and detail. Using a simple, yet powerful, computational tool kit, these complex 3D datasets are converted into a set of physically meaningful morphology descriptors. These descriptors provide means for converting these large, complicated datasets (～5 × 10~7 voxels) into simple, descriptive parameters, enabling a quantitative comparison among morphologies fabricated under different conditions. A set of P3HT:endohedral fullerene bulk-heterojunctions, fabricated under conditions specifically chosen to yield a wide range of morphologies, are examined. The effects of processing conditions and electrode presence on interracial area, domain size distribution, connectivity, and tortuosity of charge transport paths are herein determined directly from real-space data for the first time. Through this characterization, quantitative insights into the role of processing in morphology are provided, as well as a more complete picture of the consequences of a three-phase morphology. The analysis demonstrates a methodology which can enable a deeper understanding into morphology control.
机译：建立制造条件如何定量影响有机共混物的形态，为合理设计更高效率的材料提供了可能性。但是这种关系仍然难以捉摸。主要挑战之一源于形态学的不完整三维表示，这是由于难以进行精确的形态学测量所致。最近，使用电子断层扫描和高角度环形暗场扫描透射电子显微镜（HAADF-STEM）对混合有机层进行的三维测量提供了具有高分辨率和细节的形态图。使用简单但功能强大的计算工具套件，这些复杂的3D数据集将转换为一组物理上有意义的形态描述符。这些描述符提供了将这些大型，复杂的数据集（约5×10〜7体素）转换成简单的描述性参数的方法，从而可以在不同条件下对形态进行定量比较。检查了一组在特殊选择的条件下制备的P3HT：内表面富勒烯本体-异质结，以产生广泛的形貌。本文首次直接从真实空间数据中确定处理条件和电极存在对异质区域，域大小分布，连接性和电荷传输路径的曲折性的影响。通过这种表征，提供了对加工在形态学中的作用的定量见解，以及对三相形态学后果的更完整描述。分析显示了一种方法，可以使您对形态控制有更深入的了解。

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  • 来源
    《Energy & environmental science》 |2013年第10期|3060-3070|共11页
  • 作者

    Olga Wodo; John D. Roehling; Adam J. Moule; Baskar Ganapathysubramanian;

  • 作者单位

    Department of Mechanical Engineering, Iowa State University, Ames, IA, USA;

    Chemical Engineering and Materials Science, University of California, Davis, Davis, CA, USA;

    Chemical Engineering and Materials Science, University of California, Davis, Davis, CA, USA;

    Department of Mechanical Engineering, Iowa State University, Ames, IA, USA,Electrical and Computer Engineering, Iowa State University, Ames, IA, USA;

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