Molecular orbital imaging beyond the first monolayer: Insights into the pentacene/Ag(110) interface
Molecular orbital imaging beyond the first monolayer: Insights into the pentacene/Ag(110) interface
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DOI：
10.1103/physrevb.98.195412
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发表时间：
2018-11-09
影响因子：
3.7
通讯作者：
Reinert, F.
中科院分区：
文献类型：
--
作者：
Grimm, M.;Metzger, C.;Reinert, F.
了解界面处的分子几何结构不仅对优化接触性能具有重要意义，而且为多层样品的能量对准奠定了基础。本文提出了一种将轨道成像技术与光电发射矩阵元计算相结合来确定分子化合物倾角的方法。通过模拟孤立分子的不同倾斜角，并将所得的光电发射强度分布与在分子多层膜上测量的动量图进行比较，人们能够确定每个单独层的分子倾斜角。
Understanding the molecular geometry at interfaces is not only of importance for optimizing contact properties but also sets the basis in energy alignment in multilayer samples. Here we present a method to determine the tilt angle of molecular compounds by a combination of the orbital imaging technique with photoemission matrix element calculations. By simulating different tilt angles of isolated molecules and comparing the resulting photoemission intensity distribution with momentum maps measured on molecular multilayers, one is able to determine the molecules' tilt angles for each separate layer independently from one another.