论文标题
金属上的$ \boldsymbolπ$缀合系统的绑定和电子水平对齐
Binding and Electronic Level Alignment of $\boldsymbolπ$-Conjugated Systems on Metals
论文作者
论文摘要
我们回顾了金属上$π$缀合的系统的结合和能级对齐,在过去的二十年中,这一领域在实验表征以及理论理解的深处都取得了巨大进步。垂直吸附距离和电子结构以及\ textIt {ab-initio}计算的精确测量表明,大多数分子系统必须被视为弱物理吸附和强化学吸附之间的中间情况。在这种制度中,不同效果的微妙相互作用,例如共价键,电荷转移,静电和范德华相互作用,产生了具有不同吸附机制的复杂情况。为了更好地理解金属上$π$缀合的分子的结合和电子水平对齐,我们提供了文献的最新概述,解释了基本概念以及实验技术并讨论典型案例研究。因此,我们将几何形状与一致的图片以及从弱耦合到强耦合的整个范围内相关联。
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.