Defects Cause Subgap Luminescence from a Crystalline Tetracene Derivative

Defects Cause Subgap Luminescence from a Crystalline Tetracene Derivative
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缺陷导致结晶并四苯衍生物产生亚间隙发光

DOI:
10.1021/acs.jpclett.7b02718
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发表时间:
2017
期刊:
The Journal of Physical Chemistry Letters
影响因子:
--
通讯作者:
Rury, Aaron S.
Rury, Aaron S.
中科院分区:
--
文献类型:
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作者:
McAnally, R. Eric;Bender, Jon A.;Estergreen, Laura;Haiges, Ralf;Bradforth, Stephen E.;Dawlaty, Jahan M.;Roberts, Sean T.;Rury, Aaron S.

文献摘要

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我们使用稳态和超快非线性光谱结合密度泛函理论计算来解释低于5,12-二苯基并四苯(DPT)的晶体样品的光学带隙能(Eo)的光发射。特别是,通过DPT单晶传输的探测脉冲上的振动相干性的属性表示该有机半导体的离散电子跃迁低于Eo。相干谱的分析导致我们提出结构缺陷态引起这些离散的过渡和子隙光发射。我们使用振动相干光谱的偏振依赖性来尝试性地分配这些缺陷在我们的DPT样品。我们的研究结果提供了基本的见解,在有机材料中的midgap状态的属性,重要的是他们在下一代光子学和光电子技术的应用。
We use steady-state and ultrafast nonlinear spectroscopies in combination with density functional theory calculations to explain light emission below the optical gap energy (Eo) of crystalline samples of 5,12-diphenyl tetracene (DPT). In particular, the properties of vibrational coherences imprinted on a probe pulse transmitted through a DPT single crystal indicate discrete electronic transitions belowEoof this organic semiconductor. Analysis of coherence spectra leads us to propose structural defect states give rise to these discrete transitions and subgap light emission. We use the polarization dependence of vibrational coherence spectra to tentatively assign these defects in our DPT samples. Our results provide fundamental insights into the properties of midgap states in organic materials important for their application in next-generation photonics and optoelectronics technologies.