de la Rie Joris, Wang Qiankun, Enache Mihaela, Kivala Milan, Stöhr Meike
Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747 Groningen, AG, The Netherlands.
Institute of Organic Chemistry, Heidelberg University, Im Neuenheimer Feld 270, 69120 Heidelberg, Germany.
J Phys Chem C Nanomater Interfaces. 2024 Jun 19;128(26):11014-11023. doi: 10.1021/acs.jpcc.4c02376. eCollection 2024 Jul 4.
Crucial to the performance of devices based on organic molecules is an understanding of how the substrate-molecule interface influences both structural and electronic properties of the molecular layers. Within this context we studied the self-assembly of an alkoxy-triphenylene derived electron donor (HAT) in the monolayer regime on graphene/Ni(111). The molecules assembled into a close-packed hexagonal network commensurate with the graphene layer. Despite the commensurate structure, the HAT molecules only had a weak, physisorptive interaction with the substrate as pointed out by the photoelectron spectroscopy data. We discuss these findings in view of our recent reports for HAT adsorbed on Ag(111) and graphene/Ir(111). For all three substrates HAT adopts a similar close-packed hexagonal structure commensurate with the substrate while being physisorbed. The ionization potential is equal for all three substrates, supporting weak molecule-substrate interactions. These findings are remarkable, as commensurate overlayers usually only form at strongly interacting interfaces. We discuss potential reasons for this particular behavior of HAT which clearly sets itself apart from most studied molecule-substrate systems. In particular, these are the relatively weak but flexible intermolecular interactions, the molecular symmetry matching that of the substrate, and the comparatively weak but directional molecule-substrate interactions.
对于基于有机分子的器件性能而言,关键在于理解基底 - 分子界面如何影响分子层的结构和电子性质。在此背景下,我们研究了一种烷氧基三亚苯衍生的电子供体(HAT)在石墨烯/Ni(111)上的单层状态下的自组装。分子组装成与石墨烯层相称的紧密堆积六边形网络。尽管结构相称,但光电子能谱数据表明,HAT分子与基底仅存在微弱的物理吸附相互作用。鉴于我们最近关于HAT吸附在Ag(111)和石墨烯/Ir(111)上的报道,我们讨论了这些发现。对于所有三种基底,HAT在物理吸附时均采用与基底相称的类似紧密堆积六边形结构。所有三种基底的电离势相等,这支持了微弱的分子 - 基底相互作用。这些发现很显著,因为相称的覆盖层通常仅在强相互作用界面形成。我们讨论了HAT这种特殊行为的潜在原因,它明显有别于大多数已研究的分子 - 基底系统。特别是,这些原因包括相对较弱但灵活的分子间相互作用、分子对称性与基底匹配以及相对较弱但有方向性的分子 - 基底相互作用。