芴基张力半导体结构和光电性质的理论研究（英文）

发布时间：2018-07-11 14:38

本文选题：芴类材料 + 有机半导体　；参考：《物理化学学报》2017年09期

【摘要】：通过对模型化合物环四-9,9'-二甲基-2,7-芴及其系列的环芴衍生物[n]CFs(n=3-8)的结构、张力能以及光电性质的研究来进一步探讨空间张力对材料光学及电学性质的影响。研究结果表明,随着化合物中芴基数量和直径的增加,张力能减小,能隙增大。具有相同芴基数目的环芴分子,随着分子中张力能减少,分子电离电势逐渐增加,而电子亲和能逐渐减小。通过对模型化合物的空穴和电子重整能研究发现,其数值很接近,说明该类材料是一类潜在的双极性传输材料。同时还发现[n]CFs中,随着张力的减少,其第二发射峰的波长发生了蓝移。综上所述,空间张力为设计多功能有机半导体材料提供了有力工具。
[Abstract]:The influence of space tension on the optical and electrical properties of the model compound was studied by studying the structure, tension energy and optoelectronic properties of the model compound cyclotetra-9, dimethyl-2-methyl-7-fluorene and its series of cyclofluorene derivatives [n] CFS (nnc3-8). The results show that with the increase of the number and diameter of fluorene in the compound, the tension energy decreases and the energy gap increases. The molecular ionization potential increases and the electron affinity energy decreases with the decrease of intramolecular tension energy. By studying the hole and electron reforming energies of the model compounds, it is found that the values are very close, which indicates that this kind of material is a kind of potential bipolar transport materials. It is also found that the wavelength of the second emission peak in [n] CFS is blue shifted with the decrease of tension. To sum up, space tension provides a powerful tool for the design of multifunctional organic semiconductor materials.
【作者单位】：南京邮电大学信息材料与纳米技术研究院暨有机电子与信息显示国家重点实验室培育基地先进生物与化学制造协同创新分中心;南京工业大学先进材料研究院暨柔性电子重点实验室先进生物与化学制造协同创新中心;广西大学数学与信息科学学院;
【基金】：supported by the National Natural Science Foundation of China(U1301243,2150314,21602111) Doctoral Fund of Ministry of Education of China(20133223110007) Natural Science Foundation of Jiangsu Province of China(BM2012010,BK20150832) Program for Postgraduates Research Innovation in University of Jiangsu Province,China(CXZZ13_0470) Nanjing University of Post and Telecommunications,China(NY214176,NY215172,NY217082,2016XSG03) Synergetic Innovation Center for Organic Electronics and Information Displays Excellent Science and Technology Innovation Team of Jiangsu Higher Education Institutions,China(2013) the Priority Academic Program Development of Jiangsu Higher Education Institutions~~
【分类号】：TN303

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