Rai Vibhuti, Gerhard Lukas, Sun Qing, Holzer Christof, Repän Taavi, Krstić Marjan, Yang Liang, Wegener Martin, Rockstuhl Carsten, Wulfhekel Wulf
Institute for Quantum Materials and Technologies, Karlsruhe Institute of Technology (KIT), D-76344 Eggenstein-Leopoldshafen, Germany.
Institute of Theoretical Solid State Physics, Karlsruhe Institute of Technology (KIT), D-76131 Karlsruhe, Germany.
Nano Lett. 2020 Oct 14;20(10):7600-7605. doi: 10.1021/acs.nanolett.0c03121. Epub 2020 Sep 25.
Interest in electroluminescence of single molecules is stimulated by the prospect of possible applications in novel light emitting devices. Recent studies provide valuable insights into the mechanisms leading to single molecule electroluminescence. Concrete information on how to boost the intensity of the emitted light, however, is rare. By combining scanning tunnelling microscopy (STM) and quantum chemical calculations, we show that the light emission efficiencies of an individual hydrogen-phthalocyanine molecule can be increased by a factor of ≈19 upon charging. This boost in intensity can be explained by the development of a vertical dipole moment normal to the substrate facilitating out-coupling of the local excitation to the far field. As this effect is not related to the specific nature of hydrogen-phthalocyanine, it opens up a general way to increase light emission from molecular junctions.
新型发光器件的潜在应用前景激发了人们对单分子电致发光的兴趣。最近的研究为导致单分子电致发光的机制提供了有价值的见解。然而,关于如何提高发射光强度的具体信息却很少。通过结合扫描隧道显微镜(STM)和量子化学计算,我们表明,单个氢酞菁分子在充电时的发光效率可提高约19倍。强度的这种提高可以通过垂直于衬底的垂直偶极矩的形成来解释,这有利于将局部激发耦合到远场。由于这种效应与氢酞菁的具体性质无关,它开辟了一种提高分子结发光的通用方法。