论文标题

分子自组装:量化分子间吸引力与从距离和长度分布的排斥之间的平衡

Molecular self-assembly: Quantifying the balance between intermolecular attraction and repulsion from distance and length distributions

论文作者

Schiel, Christoph, Vogtland, Maximilian, Bechstein, Ralf, Kühnle, Angelika, Maass, Philipp

论文摘要

在表面上的分子自组装构成了一种具有专用功能的量身定制的表面结构的强大方法。改变分子间相互作用可以以合理的方式调整所得分子结构。但是,到目前为止,对所涉及的分子间相互作用的讨论通常仅限于吸引力。在实际系统中,分子间相互作用可以由有吸引力和排斥力组成。调整这些相互作用之间的平衡提供了一种有希望的策略,可以扩展表面上分子自组装中的结构变化。但是,该策略依赖于量化所涉及相互作用的方法。在这里,我们研究了超高真空中的方解石(10.4)上3-羟基苯甲酸分子的分子模型系统。该系统提供各向异性的短距离吸引力和分子之间的远距离排斥,从而导致分子条的自组装。我们分析了条纹 - 条纹的距离分布和条纹长度分布,并将这些分布与各向异性ISING模型的分析表达式进行比较,并具有额外的排斥相互作用。我们表明,这种方法允许提取有关有吸引力和排斥相互作用的强度的定量信息。我们的工作表明,如何使用对自组装结构的详细分析来获得对分子 - 分子相互作用的定量见解。

Molecular self-assembly on surfaces constitutes a powerful method for creating tailor-made surface structures with dedicated functionalities. Varying the intermolecular interactions allows for tuning the resulting molecular structures in a rational fashion. So far, however, the discussion of the involved intermolecular interactions is often limited to attractive forces only. In real systems, the intermolecular interaction can be composed of both, attractive and repulsive forces. Adjusting the balance between these interactions provides a promising strategy for extending the structural variety in molecular self-assembly on surfaces. This strategy, however, relies on a method to quantify the involved interactions. Here, we investigate a molecular model system of 3-hydroxybenzoic acid molecules on calcite (10.4) in ultrahigh vacuum. This system offers both anisotropic short-range attraction and long-range repulsion between the molecules, resulting in the self-assembly of molecular stripes. We analyze the stripe-to-stripe distance distribution and the stripe length distribution and compare these distributions with analytical expressions from an anisotropic Ising model with additional repulsive interaction. We show that this approach allows to extract quantitative information about the strength of the attractive and repulsive interactions. Our work demonstrates how the detailed analysis of the self-assembled structures can be used to obtain quantitative insight into the molecule-molecule interactions.

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