Abstract Zinc-phthalocyanine has great potential for the applications in band-structure engineering, organic solar cells and photodynamic therapy. The optical and structural properties of zinc-phthalocyanine have been studied extensively previously. Here we report we have fabricated the nanowires of zinc-phthalocyanines (the η-phase) and investigated their crystal structures and optical properties. The in-situ x-ray-diffraction experiments show that zinc-phthalocyanine nanowires grown at the low-temperature region have a distinct crystal structure as compared with the zinc-phthalocyanine polymorphs reported previously. We have also fitted the x-ray diffraction data and obtained the crystal-structure parameters, which further suggests that the nanowire phase has a new crystal structure. The UV-Vis experiments suggest similar qualitative feature in both the Q-band and the B-band, but slightly different quantitative perspectives. As explained by using the first-principles calculations, a mixture of intra-molecular and charge-transfer excitations can account for the splitting of the Q-band. Our work can provide a solid foundation for the further applications of zinc-phthalocyanines in organic optoelectronics.

中文翻译：

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一种新的酞菁锌多晶型物及其光学性质

摘要 锌酞菁在能带结构工程、有机太阳能电池和光动力治疗等方面具有巨大的应用潜力。锌酞菁的光学和结构特性之前已被广泛研究。在这里，我们报告我们已经制造了锌酞菁（η 相）的纳米线并研究了它们的晶体结构和光学特性。原位 X 射线衍射实验表明，与之前报道的锌酞菁多晶型物相比，在低温区域生长的锌酞菁纳米线具有独特的晶体结构。我们还拟合了X射线衍射数据并获得了晶体结构参数，这进一步表明纳米线相具有新的晶体结构。UV-Vis 实验表明 Q 波段和 B 波段具有相似的定性特征，但定量角度略有不同。正如使用第一性原理计算所解释的那样，分子内和电荷转移激发的混合可以解释 Q 带的分裂。我们的工作可以为锌酞菁在有机光电子学中的进一步应用提供坚实的基础。