通过光刺激放电、发光实验和量子化学计算得出的聚萘二甲酸乙二醇酯的电子特性

Duvan Mendoza Lopez, Gilbert Teyssedre, L. Boudou, L. Berquez, Christian Laurent, Shinya Iwata, Tatsuo Takada
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摘要

根据聚(2,6-萘乙酸乙烯酯)-PEN 薄膜的光物理(光吸收、光致发光)和电学(空间电荷分布、光刺激放电)行为,研究了其电子特性。光刺激电流与材料的光吸收有关,导致空间电荷耗散,空间电荷分布测量证明了这一点。根据这组实验结果和对 PEN 大分子体系进行的量子化学计算,我们提出了一种新的 PEN 电子水平方案。该方案有助于理解光刺激放电的作用机制。我们工作的主要结论之一是,光刺激电流测量并不能探测陷阱的能级。电荷的解俘获是一个两步过程的结果,光子能量被发色团吸收,发色团通过各种机制将部分能量重新释放给被俘获的电荷。此外,新方案还允许讨论在不同压力下激发的发光成分,包括电场、电子和紫外线照射、电荷重组和热激活。
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Electronic properties of polyethylene naphthalate as derived from photo-stimulated discharge, luminescence experiments and quantum chemical calculation
The electronic properties of thin films of Poly(ethylene 2,6-naphthalate) –PEN, are investigated based on their photo-physical (optical absorption, photoluminescence) and electrical (space charge distribution, photo-stimulated discharge) behavior. Photo-stimulated currents are associated with optical absorption of the material leading to space charge dissipation as demonstrated by space charge distribution measurement. Based on this set of experimental results and quantum chemical calculation performed on PEN macromolecular system, we propose a new scheme for the electronic levels of PEN. This scheme allows understanding the mechanisms at play in photo-stimulated discharge. One of the main conclusions of our work is that photo-stimulated current measurements do not probe the energy level of traps. Detrapping of charges results from a two-step process where the photon energy is absorbed by chromophores that restitute a part of this energy to trapped charges through various mechanisms. Moreover, the new scheme allows discussing the components of the luminescence excited under different stresses, being electric field, electronic and UV irradiation, charge recombination and thermal activation.
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