调控Au(111)上一种基于噻蒽的芳香族分子的平面性
Tuning the Planarity of an Aromatic Thianthrene-Based Molecule on Au(111)
AI总结：
本研究结合STM/STS、针尖操控与DFT计算，揭示Au(111)上噻蒽分子的平面性可由覆盖度诱导的自组装结构调控，并实现非平面到平面构型的转化。
摘要：
由于具有高稳定性和良好的电子性质，非平面芳香族分子是有机电子学和光电子学应用中引人关注的体系。利用扫描隧道显微镜和谱学技术，我们研究了吸附在Au(111)上的基于噻蒽的分子，这些分子在气相和体相固态中均为非平面结构。改变分子覆盖度会形成两种不同的自组装结构：密排岛和准一维链。我们发现，分子在密排岛内为非平面结构，而在分子链中以及单个吸附分子情况下则呈平面构型。通过使用垂直针尖操控将一个分子从岛中分离，我们证明了非平面分子向其平面构型的转化。在密度泛函理论计算的支持下，我们讨论了这两种不同几何结构及其电子性质。
英文摘要：
Non-planar aromatic molecules are interesting systems for organic electronics and optoelectronics applications due to their high stability and electronic properties. By using scanning tunneling microscopy and spectroscopy, we investigated thianthrene-based molecules adsorbed on Au(111), which are non-planar in the gas phase and the bulk solid state. Varying the molecular coverage leads to the formation of two different kinds of self-assembled structures: close-packed islands and quasi one-dimensional chains. We found that the molecules are non-planar within the close-packed islands, while the configuration is planar in the molecular chain and for single adsorbed molecules. Using vertical tip manipulation to isolate a molecule from the island, we demonstrate the conversion of a non-planar molecule to its planar configuration. We discuss the two different geometries and their electronic properties with the support of density functional theory calculations.
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