MRI: Acquisition of a High Resolution Electron Energy Loss Spectrometer for Molecular-Level Surface Characterization

高分辨电子能量损失谱（HREELS）是获得固体表面振动谱的一种有效技术。 当与第一性原理计算方法相结合时，HREELS能够提供表面物种的分子水平描述。 对HREELS和理论结合应用所产生的表面中间体和过程的详细理解有助于功能材料的合理设计。 一个完整的HREELS表面分析系统将被收购，并用于与表面科学和工程相关的各种项目。 该系统采用了一种新型的飞行时间能量分析仪，用于增加吞吐量和增强动态测量能力，并且当与计算化学工具结合时，特别适合于识别表面分子结构。 将采用HREELS系统的研究项目将在许多领域产生影响，如化学传感器，微电子器件工程，多相催化，生物相容性材料，聚合物表面功能化和膜技术。 对于这些技术中的每一种，HREELS/理论组合将被应用于确定表面结构和组成如何控制负责观察到的宏观行为的分子过程。 所收购的仪器将产生广泛的影响，为科罗拉多大学的一个重点领域做出重大贡献：功能材料的开发。 来自不同学科的研究人员将使用HREELS和计算化学的结合来识别功能表面的分子水平结构;所获得的仪器将促进跨学科合作。 具有不同应用领域项目的研究生将接受使用复杂表面分析硬件和第一原理理论技术的培训，并将获得实验和理论如何从设计角度相互补充的第一手知识。 此外，参加科罗拉多功能材料REU计划的学生将有机会使用仪器，HREELS应用的结果将被纳入现有的本科教育和高中推广计划。 最后，飞行时间能量分析仪器模块独特的动态测量能力将吸引来自不同领域的研究人员，再次加强跨学科交流。

High resolution electron energy loss spectroscopy (HREELS) is a powerful technique for obtaining vibrational spectra of solid surfaces. When combined with first-principles computational methods, HREELS is able to provide a molecular-level description of surface species. The detailed understanding of surface intermediates and processes generated from the combined application of HREELS and theory facilitates rational design of functional materials. A complete HREELS surface analysis system will be acquired and employed for a variety of projects related to surface science and engineering. This system incorporates a novel time-of-flight energy analyzer for increased throughput and enhanced dynamic measurement capabilities, and is uniquely suited for identification of surface molecular structures when combined with computational chemistry tools. The research projects that will employ the HREELS system will make impacts in numerous areas such as chemical sensors, microelectronic device engineering, heterogeneous catalysis, biocompatible materials, functionalization of polymer surfaces, and membrane technology. For each of these technologies, the HREELS/theory combination will be applied to determine how surface structure and composition control the molecular processes responsible for observed macroscopic behavior. The acquired instrument will have a broad impact, making major contributions to a key emphasis area at the University of Colorado: the development of functional materials. Researchers from a variety of disciplines will use the combination of HREELS and computational chemistry to identify the molecular-level structure of functional surfaces; the acquired instrument will thus facilitate cross-disciplinary collaborations. Graduate students with projects having diverse application areas will be trained in the use of both sophisticated surface analysis hardware and first-principles theoretical techniques, and will gain firsthand knowledge of how experiment and theory complement each other from a design perspective. Furthermore, students participating in Colorado's Functional Materials REU program will have opportunities to work with the instrumentation, and results from application of HREELS will be incorporated into existing undergraduate education and high school outreach programs. Finally, the unique dynamic measurement capabilities of the time-of-flight energy analysis instrument module will serve as an added attraction for drawing researchers from diverse fields, again enhancing cross-disciplinary communication.