Konôpka Martin, Rousseau Roger, Stich Ivan, Marx Dominik
Center for Computational Materials Science, Department of Physics, Slovak University of Technology, Ilkovicova 3, 81219 Bratislava, Slovakia.
Phys Rev Lett. 2005 Aug 26;95(9):096102. doi: 10.1103/PhysRevLett.95.096102.
The relationship between structure, interfacial electrostatics, bonding, and dynamics of organic molecules on metals is studied using a self-assembled monolayer of methylthiolate, CH3S, on Cu(111). The flat adsorption energy landscape of CH(3)S/Cu(111) results from metal-to-molecule charge redistribution which allows for a high mobility of CH3S. This contributes a nonuniform diffuse background to Bragg scattering, which needs to be considered in diffraction analyses. Ramifications on the interpretation of experimental data and the potential impact on the design of metal-organic interfaces are discussed.
利用在Cu(111)上自组装的甲硫醇盐（CH3S）单分子层，研究了金属上有机分子的结构、界面静电、键合和动力学之间的关系。CH(3)S/Cu(111)的平坦吸附能景观源于金属到分子的电荷重新分布，这使得CH3S具有高迁移率。这为布拉格散射贡献了一个不均匀的漫散射背景，在衍射分析中需要加以考虑。文中讨论了对实验数据解释的影响以及对金属有机界面设计的潜在影响。
