Chemisorbed Aromatic Hydrocarbons on Coinage Metal Surfaces:Formation and Dynamics

本项目由化学学部化学结构、动力学和机理资助。该项目研究金属表面带电有机分子（有机离子）的性质。罗格斯大学的b.j. Hinch教授小组进行的基础研究旨在了解离子分子如何与金属表面紧密结合，同时在表面上显示高迁移率。了解分子沿表面运动背后的机制对润滑过程以及可用于分子电子器件的有序分子膜的形成具有重要意义。国际和跨学科的合作也在进行中，分别发展理论理解和界面的电子表征。该程序通过暴露挥发性非芳香分子前体，在电子意义上的Cu、Ag和Au表面上实现了离子结合的平面芳香化学异山酸酯。用程序升温解吸法研究了热稳定性和加氢过程。利用氦原子散射研究了扩散系数、相互作用强度、动态运动相关性、横向有序性。与Steve Jenkins教授（Cambridge， UK）合作进行的DFT计算阐明了移动物质的势能面和预期的电子结构。与Robert Bartynski教授（罗格斯大学物理系）合作进行了价壳层和核能级光谱研究。一种用于飞行时间He能量分析的新型电离器正在研制中。该技术在所有时间分辨质谱中都有应用。实验设计、测量、本地和国际合作项目以及仪器开发在各个层次的研究中都提出了具有挑战性的培训经验。更广泛的推广项目包括让高中生参与新仪器的应用，以及与新兴学术研究项目开发未来的合作项目。

This project is funded by the Chemical Structure, Dynamics and Mechanisms of the Chemistry division. The project investigates the properties of charged organic molecules (organic ions) on metal surfaces. The fundamental studies performed in the group of Professor B.J Hinch at Rutgers University, are aimed at understanding how ionic molecules can be strongly bound to metal surfaces, and yet also display high mobilities on the surfaces. Understanding mechanisms behind the motion of molecules along surfaces is of significance to lubrication processes, as well as to the formation of ordered molecular films that can be employed in molecular electronic devices. International and interdisciplinary collaborations are also underway to develop respectively theoretical understanding and electronic characterization of the interfaces.The program realizes ionically-bound planar aromatic chemisorbates, on electronically significant Cu, Ag and Au surfaces, through exposures of volatile non-aromatic molecular precursors. Thermal stability and hydrogenation processes are studied with temperature programmed desorption. Diffusivities, mutual interaction strengths, correlations of dynamic motion, lateral ordering, are explored with helium atom scattering. DFT calculations performed in collaboration with Prof. Steve Jenkins, (Cambridge, UK.) elucidate the potential energy surfaces of the mobile species and anticipated electronic structure. Valence shell and core level spectra studies are undertaken in collaboration with Prof. Robert Bartynski, (Physics Dept., Rutgers University.) A new ionizer design for time-of-flight He energy analysis is being developed. This technology has applications in all time-resolved mass spectroscopies. The experiment design, measurements, local and international collaborative projects, and instrumental development present challenging training experiences at all levels of study. Broader outreach programs include involvement of high school students in applications of new instrumentation, and development of future collaborative projects with emerging academic research programs.