Chemisorbed Aromatic Hydrocarbons on Coinage Metal Surfaces:Formation and Dynamics

该项目由化学部的化学结构，动力学和机制资助。 该项目研究带电有机分子（有机离子）在金属表面上的性质。 罗格斯大学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牢固结合，同时在表面上显示出高迁移率。 了解分子沿着表面运动的机理对润滑过程以及形成可用于分子电子器件的有序分子膜具有重要意义。国际和跨学科的合作也正在进行中，分别发展理论理解和电子表征的接口。该计划实现了离子键合平面芳香族化学吸附剂，在电子显着的铜，银和Au表面，通过暴露的挥发性非芳香族分子前体。用程序升温脱附法研究了加氢反应的热稳定性和加氢过程。扩散系数，相互作用强度，动态运动的相关性，横向有序，探索与氦原子散射。与Steve Jenkins教授（英国剑桥）合作进行DFT计算。阐明了移动的物种的势能面和预期的电子结构。价层和核心水平光谱研究是与Robert Bartynski教授（物理系，罗格斯大学。一个新的电离器设计的飞行时间的He能量分析正在开发中。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，以及仪器开发在各级研究提出了具有挑战性的培训经验。更广泛的推广计划包括高中学生参与新仪器的应用，以及与新兴学术研究计划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.