论文标题
从平坦到倾斜：有机薄膜生长的逐渐接口
From flat to tilted: gradual interfaces in organic thin film growth
论文作者
论文摘要
我们通过将高分辨率扫描隧道显微镜（STM）实验与电子结构理论计算和计算结构搜索相结合，研究了$α$ -Sexithieophene（$α$ -6T）的薄膜的结构域形成和局部形态。我们报告了高度有序的对映体域的层次增长。对于第二层和第三层，我们表明单个$α$ -6T分子的分子轨道可以通过STM很好地解决，从而可以访问有关分子方向的详细信息。我们发现，在第二层中，分子已经放弃了单层的平坦吸附结构，并采用了倾斜的构象。尽管观察到的倾斜布置类似于批量的$α$ -6T的方向，但观察到的形态尚未对应于$ -6T $ -6T的散装结构的明确定义的表面。对于第三层发现了类似的行为，表明生长机制在几层上逐渐采用了块状结构。
We investigate domain formation and local morphology of thin films of $α$-sexithiophene ($α$-6T) on Au(100) beyond monolayer coverage by combining high resolution scanning tunneling microscopy (STM) experiments with electronic structure theory calculations and computational structure search. We report a layerwise growth of highly-ordered enantiopure domains. For the second and third layer, we show that the molecular orbitals of individual $α$-6T molecules can be well resolved by STM, providing access to detailed information on the molecular orientation. We find that already in the second layer the molecules abandon the flat adsorption structure of the monolayer and adopt a tilted conformation. Although the observed tilted arrangement resembles the orientation of $α$-6T in the bulk, the observed morphology does not yet correspond to a well-defined surface of the $α$-6T bulk structure. A similar behavior is found for the third layer indicating a growth mechanism where the bulk structure is gradually adopted over several layers.
