Role of intermolecular interactions on the electronic and geometric structure of a large π-conjugated molecule adsorbed on a metal surface
Role of intermolecular interactions on the electronic and geometric structure of a large π-conjugated molecule adsorbed on a metal surface
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DOI：
10.1103/physrevlett.100.136103
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发表时间：
2008-04-04
影响因子：
8.6
通讯作者：
Umbach, E.
中科院分区：
文献类型：
--
作者：
Kilian, L.;Hauschild, A.;Umbach, E.
有机半导体分子3,4,9,10-苝-四羧酸二酐（PTCDA）在Ag（111）表面表现出两种吸附状态：一种是在低温下制备的亚稳无序相，另一种是在室温下获得的长程有序单层相。值得注意的是，这两种状态在垂直成键距离、分子内畸变和电子结构上有很大的不同。这种差异可以用分子间相互作用来解释，这与长程有序相特别相关，因此需要注意。
The organic semiconductor molecule 3,4,9,10-perylene-tetracarboxylic-dianhydride (PTCDA) exhibits two adsorption states on the Ag(111) surface: one in a metastable disordered phase, prepared at low temperatures, the other in the long-range ordered monolayer phase obtained at room temperature. Notably, the two states differ substantial in their vertical bonding distances, intramolecular distortions, and electronic structures. The difference is explained by intermolecular interactions, which are particularly relevant for the long-range ordered phase, and which hence require attention.