$\boldsymbolπ$ -共轭体系在金属上的结合和电子能级排列
Binding and Electronic Level Alignment of $\boldsymbolπ$-Conjugated Systems on Metals
摘要：
我们回顾了$π$ -共轭体系在金属上的结合和能级排列，在过去的二十年里，这一领域在实验表征和理论理解的深度方面都取得了巨大的进展。垂直吸附距离和电子结构的精确测量连同\textit{ab-initio}计算表明，大多数的分子系统被认为是弱物理吸附和强化学吸附之间的中间情况。在这种情况下，不同的影响，如共价键，电荷转移，静电和范德华相互作用的微妙的相互作用产生了一个复杂的情况下，不同的吸附机制。为了建立一个更好的理解的结合和$π$共轭分子的金属上的电子水平排列，我们提供了一个最新的文献综述，解释的基本概念以及实验技术和讨论典型的案例研究。因此，我们在一个一致的图片，并在整个范围内从弱到强耦合的几何与电子结构。
英文摘要：
We review the binding and energy level alignment of $π$-conjugated systems on metals, a field which during the last two decades has seen tremendous progress both in terms of experimental characterization as well as in the depth of theoretical understanding. Precise measurements of vertical adsorption distances and the electronic structure together with \textit{ab-initio} calculations have shown that most of the molecular systems have to be considered as intermediate cases between weak physisorption and strong chemisorption. In this regime, the subtle interplay of different effects such as covalent bonding, charge transfer, electrostatic and van der Waals interactions yields a complex situation with different adsorption mechanisms. In order to establish a better understanding of the binding and the electronic level alignment of $π$-conjugated molecules on metals, we provide an up-to-date overview of the literature, explain the fundamental concepts as well as the experimental techniques and discuss typical case studies. Thereby, we relate the geometric with the electronic structure in a consistent picture and over the entire range from weak to strong coupling.
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