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arXiv 2102.02084cond-mat.mtrl-scicond-mat.soft
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相分离酞菁-富勒烯共混物薄膜生长的实验与计算研究

Thin Film Growth of Phase-Separating Phthalocyanine-Fullerene Blends: A Combined Experimental and Computational Study

Berthold Reisz, Eelco Empting, Matthias Zwadlo, Martin Hodas, Giuliano Duva, Valentina Belova, Clemens Zeiser, Jan Hagenlocher, Santanu Maiti, Alexander Hinderh… 展开作者

Berthold Reisz, Eelco Empting, Matthias Zwadlo, Martin Hodas, Giuliano Duva, Valentina Belova, Clemens Zeiser, Jan Hagenlocher, Santanu Maiti, Alexander Hinderhofer, Alexander Gerlach, Martin Oettel, Frank Schreiber

摘要:

混合有机薄膜由于其在有机太阳能电池中的应用而在过去的几十年中得到了研究。虽然它们的光学和电子特性已经被深入研究,但仍然缺乏关于它们的生长过程和所得形貌的详细知识,这对光电子器件如有机太阳能电池的效率起着关键作用。在这项研究中,纯的和混合薄膜的铜酞菁(CuPc)和巴克富勒烯(C60)通过真空沉积到天然氧化硅衬底上生长在两个不同的衬底温度,310 K和400 K。随后通过原位实时X射线反射率的粗糙度的演变。通过X射线衍射实验和显微镜技术研究了生长后的晶体取向、岛密度和形貌。在纯的酞菁铜薄膜中发现了一个光滑的润湿层的形成,然后快速粗糙化,而C60在生长的非常早期阶段显示出快速形成明显的岛。在共沉积薄膜中发现了针状CuPc晶体的生长,使其与衬底的取向发生了变化。此外,数据表明,结构特征变得更大和更明显,并且当从310 K到400 K时,岛密度降低了四倍。最后,粗糙度和岛密度的关键参数很好地再现在一个较小的尺度上的动力学蒙特卡罗模拟的一个通用的,二元晶格模型与简单的最近邻相互作用能。

英文摘要:

Blended organic thin films have been studied during the last decades due to their applicability in organic solar cells. Although their optical and electronic features have been examined intensively, there is still lack of detailed knowledge about their growth processes and resulting morphologies, which play a key role for the efficiency of optoelectronic devices such as organic solar cells. In this study, pure and blended thin films of copper phthalocyanine (CuPc) and the Buckminster fullerene (C60) were grown by vacuum deposition onto a native silicon oxide substrate at two different substrate temperatures, 310 K and 400 K. The evolution of roughness was followed by in-situ real-time X-ray reflectivity. Crystal orientation, island densities and morphology were examined after the growth by X-ray diffraction experiments and microscopy techniques. The formation of a smooth wetting layer followed by rapid roughening was found in pure CuPc thin films, whereas C60 shows a fast formation of distinct islands at a very early stage of growth. The growth of needle-like CuPc crystals loosing their alignment with the substrate was identified in co-deposited thin films. Furthermore, the data demonstrates that structural features become larger and more pronounced and that the island density decreases by a factor of four when going from 310 K to 400 K. Finally, the key parameters roughness and island density were well reproduced on a smaller scale by kinetic Monte-Carlo simulations of a generic, binary lattice model with simple nearest-neighbor interaction energies.

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