Universität Würzburg, Experimentelle Physik VII and Röntgen Research Center for Complex Material Systems RCCM, 97074 Würzburg, Germany.
Nat Commun. 2013;4:1514. doi: 10.1038/ncomms2522.
Charge carrier mobilities in molecular condensates are usually small, as the coherent transport, which is highly effective in conventional semiconductors, is impeded by disorder and the small intermolecular coupling. A significant band dispersion can usually only be observed in exceptional cases such as for π-stacking of aromatic molecules in organic single crystals. Here based on angular resolved photoemission, we demonstrate on the example of planar π-conjugated molecules that the hybridization with a metal substrate can substantially increase the delocalization of the molecular states in selective directions along the surface. Supported by ab initio calculations we show how this mechanism couples the individual molecules within the organic layer resulting in an enhancement of the in-plane charge carrier mobility.
在分子凝聚态中,载流子迁移率通常较小,因为在传统半导体中非常有效的相干输运受到无序和小的分子间耦合的阻碍。通常只有在特殊情况下才能观察到显著的能带色散,例如在有机单晶中芳香族分子的π 堆积。在这里,我们基于角分辨光发射的例子证明,通过与金属衬底的杂化可以显著增加分子态在沿着表面的特定方向上的离域。基于第一性原理计算,我们展示了这种机制如何将有机层中的单个分子耦合在一起,从而增强面内载流子迁移率。