Bonding and vibrational dynamics of a large π-conjugated molecule on a metal surface
Bonding and vibrational dynamics of a large π-conjugated molecule on a metal surface
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金属表面大 π 共轭分子的键合和振动动力学
DOI：
10.1088/0953-8984/20/22/224010
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发表时间：
2008
期刊：
影响因子：
--
通讯作者：
F. Tautz
中科院分区：
文献类型：
--
作者：
R. Temirov;S. Soubatch;A. Lassise;F. Tautz
以典型的π/Ag单分子膜为例，研究了PTCDA共轭半导体大分子的衬底成键与金属-有机界面动力学性质之间的相互作用。同时考虑了分子振动与金属表面电子-空穴对连续体的耦合以及隧穿电子通过分子时的分子振动引起的非弹性散射。这两类实验的结果与直接探测吸附-底物复合体的几何和电子结构的测量结果是一致的；一般来说，它们可以在电子-振动耦合的标准理论框架内被理解。虽然这里报道的实验实际上为我们的π共轭模型分子的底物成键提供了额外的定性见解，但它们的详细定量理解需要对动态界面属性进行完整的计算，而这一点目前还无法获得。
The interplay between the substrate bonding of a large π-conjugated semiconductor molecule and the dynamical properties of the metal–organic interface is studied, employing the prototypical PTCDA/Ag(111) monolayer as an example. Both the coupling of molecular vibrations to the electron–hole-pair continuum of the metal surface and the inelastic scattering of tunnelling electrons by the molecular vibrations on their passage through the molecule are considered. The results of both types of experiment are consistent with the findings of measurements which probe the geometric and electronic structure of the adsorbate–substrate complex directly; generally speaking, they can be understood in the framework of standard theories for the electron–vibron coupling. While the experiments reported here in fact provide additional qualitative insights into the substrate bonding of our π-conjugated model molecule, their detailed quantitative understanding would require a full calculation of the dynamical interface properties, which is currently not available.