Chemisorbed Aromatic Hydrocarbons on Coinage Metal Surfaces:Formation and Dynamics

该项目由化学部的化学结构、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B.J·欣奇教授的团队进行的基础研究旨在了解离子分子如何强烈结合到金属表面，同时也在表面上显示出高的迁移率。了解分子沿表面运动的机理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，以分别发展界面的理论理解和电子表征。该计划通过曝光挥发性非芳香分子前体，在具有电子意义的铜、银和金表面实现离子结合的平面芳香族化学吸附。用程序升温脱附法研究了该催化剂的热稳定性和加氢过程。用氦原子散射研究了扩散系数、相互作用强度、动态运动关联和横向有序性。DFT计算与英国剑桥的Steve Jenkins教授合作进行。阐明了可移动物种的势能面和预期的电子结构。价层和核能级光谱研究是与罗伯特·巴廷斯基教授(罗格斯大学物理系)合作进行的。一种新的用于飞行时间能量分析的电离器设计正在开发中。这项技术在所有时间分辨质谱仪中都有应用。实验设计、测量、本地和国际合作项目以及仪器开发在所有研究级别都提供了具有挑战性的培训经验。更广泛的外展计划包括让高中生参与新仪器的应用，以及开发未来与新兴学术研究计划的合作项目。

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.