全氟酞菁铜纳米线形貌及其结构变化的研究

发布时间：2018-05-09 13:34

  本文选题：全氟酞菁铜 + 纳米线　； 参考：《云南大学》2016年硕士论文

【摘要】：酞菁是一种含有十八个π电子的大杂环平面结构有机半导体材料。全氟酞菁铜因其分子间距更小,使得其具有优异的光学,电学性质,进而在有机光伏器件、有机场效应晶体管、有机发光二极管等领域具有广泛的应用。通过调节全氟酞菁铜分子的排列和晶体结构,可以进一步改善其光电性质,提升器件的性能。本文分析了全氟酞菁铜纳米线的形貌、结构、化学成分以及光学性质,并且基于密度泛函理论(DFT)计算了纳米线中相邻分子的相互作用和磁学性质。研究工作主包括以下几方面内容：第一,利用有机气相沉积法在低温区制备的全氟酞菁铜纳米线的直径约50纳米,高温区形成带状晶体宽度约为300纳米,长度达到微米/里面量级。能量分散谱(EDS)结果显示全氟酞菁铜分子主要元素为C、N、F和Cu,X射线光电子能谱(XPS)和傅里叶红外变换光谱(FTIR)分析了纳米线的结合能、键能和官能团,证明全氟酞菁铜分子在高温加热后并没有发生分解。第二,X射线衍射图谱(XRD)显示全氟酞菁铜纳米线的主要衍射峰位于20=6.34°,6.60°,7.04°和27.74°,其晶胞参数为a=16.360 A,b=3.758 A,c=29.123 A,α=90°, β=121.6°,γ=90°,属于单斜晶系,P2空间群,命名为η-F16CuPc。相比p-F16CuPc,纳米线中分子柱内相邻分子之间的Cu-Cu的距离更小。第三,基于密度泛函理论(DFT)计算结果发现全氟酞菁铜纳米线的交换相互作用为JDFT～-1K,表现为反铁磁性,相比β相(J=-0.02 K),具有更强的相互作用。紫外-可见图谱(UV-vis)显示全氟酞菁铜纳米线在可见光区域存在高能量最大峰(～622 nm)和低能量最大峰(～784 nm),对比p相全氟酞菁铜有明显蓝移,其在Q带的吸收峰展宽增加～10 nnl。第四,通过改变前躯体温度我们发现,全氟酞菁铜晶体依然保持线状形貌,纳米线的尺寸随着前躯体温度的升高而逐渐增加。全氟酞菁铜纳米线结晶性随着温度的升高增加。不同退火温度会引起全氟酞菁铜纳米线晶型转变,70℃时对应着η-到α-相的转变,276℃时对应着α相向β相的转变,500℃对应β相的完全转变。η和α相的全氟酞菁铜均是线状结构,而p相的全氟酞菁铜晶体是带状。通过对全氟酞菁铜纳米线晶体结构,光学性质以及晶型转变的研究,将进一步促进全氟酞菁铜纳米线在有机光电子领域,例如：有机太阳能电池,有机场效应晶体管等的应用。
[Abstract]:Phthalocyanine is an organic semiconductor material with large heterocyclic planar structure containing 18 蟺 electrons. Due to its smaller molecular spacing, perfluorinated copper phthalocyanine has excellent optical and electrical properties, and has been widely used in organic photovoltaic devices, airfield effect transistors, organic light-emitting diodes and so on. By adjusting the molecular arrangement and crystal structure of perfluorinated copper phthalocyanine, the photoelectric properties and the properties of the devices can be further improved. The morphology, structure, chemical composition and optical properties of perfluorinated copper phthalocyanine nanowires were analyzed. The interaction and magnetic properties of adjacent molecules in the nanowires were calculated based on density functional theory (DFT). The main work includes the following aspects: first, the diameter of perfluorinated copper phthalocyanine nanowires prepared by organic vapor deposition in low temperature region is about 50 nm, and the width of zonal crystal in high temperature region is about 300 nm. The length is of the order of micron / inner order. The results of energy dispersive spectroscopy (EDS) show that the main elements of perfluorinated copper phthalocyanine are Con NZF and Cu X ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR). The binding energy, bond energy and functional groups of nanowires are analyzed. It is proved that the perfluorinated copper phthalocyanine does not decompose after heating at high temperature. The main diffraction peaks of perfluorinated copper phthalocyanine nanowires were found to be at 206.34 掳(6.60 掳) 7.04 掳and 27.74 掳. The cell parameters of the nanowires were as follows: a ~ (16) ~ (360) A ~ (16) A ~ (2) A ~ (1) C _ (3) C _ (29.123) A, 伪 ~ (90 掳), 尾 ~ (121.6) 掳, 纬 ~ (90) 掳, belongs to the monoclinic system P _ (2) space group and is named 畏 -F _ (16) Cu _ (Pc). Compared with p-F16CuPc, the distance between the adjacent molecules in the nanowires is smaller than that between the adjacent molecules in the nanowires. Thirdly, based on density functional theory (DFT), it is found that the exchange interaction of perfluorinated copper phthalocyanine nanowires is JDFT-1K, which is antiferromagnetic. UV-vis-vis spectra showed that perfluorinated copper phthalocyanine nanowires had a high energy maximum peak of 622 nm) and a low energy maximum peak of 784 nm 路m ~ (-1) in the visible region. Compared with p-phase perfluorophthalocyanine copper, the absorption peak of perfluorinated copper phthalocyanine increased by 10 nl. Fourthly, by changing the temperature of the precursor, we found that the morphology of the perfluorinated copper phthalocyanine crystal remains linear, and the size of the nanowires increases with the increase of the temperature of the precursor. The crystallinity of perfluorinated copper phthalocyanine nanowires increases with the increase of temperature. The nanowires transformation of perfluorophthalocyanine copper at 70 鈩，

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