Investigation of Molecular Contacts and Interfaces

技术。智力优势：本项目研究分子接触系统的电子和化学结构的基本特征，认为分子电子学有前途。详细了解分子接触是该领域的关键因素，因为目前对分子接触处的轨道排列和电荷注入势垒的了解很少。确定分子接触电子结构的方法是基于光电发射光谱（PES）、开尔文探针（KP）和低能电子衍射（LEED）。这些实验是通过一个结合了制备和分析能力的实验装置来实现的，允许在真空中沉积无污染的分子层，并在惰性气氛中附着在真空系统的手套箱中沉积，提供自组装单层，Langmuir-Blodgett膜和分子多层堆叠，适用于PES， KP和LEED的研究。该项目是与惠普公司（Hewlett Packard）合作进行的，其中基于当前的表征方法将与使用探索性分子装置结构的互补努力并行进行。综合结果将为分子/电极组合的选择提供科学依据。项目目标包括：(1)基于单分子活性层的探索性器件结构中界面电子结构的研究。(2)研究了用于自组装单层（SAM）器件和单分子器件的“分子鳄鱼夹”的电子结构。(3)基于脱氧核糖核酸和核糖核酸（DNA， RNA）寡核苷酸的接触的研究，目前有几个研究小组正在探索用于集成电路和传感器应用的三维纳米结构的自组装。更广泛的影响：分子电子学，并与已建立的CMOS技术相结合，被认为是未来集成电路一代，传感和光电子器件的有前途的途径。本研究有望对分子接触处的电荷转移机制提供新的认识和认识，从而提高分子结构的合理设计能力。与惠普建立的合作互动有可能导致具有定制电子特性的新型设备结构的发展。非技术。该项目致力于与电子和光子学技术密切相关的基础材料研究，并有效地将研究与教育结合起来。该项目在学术界和工业界的合作互动中促进了学生的跨学科教育。研究生和本科生将参与该项目，使他们获得最前沿研究的实践经验。高中学生也将通过最近启动的项目，在暑期休息期间参与研究项目，在该项目中，有天赋的高中学生由REU学生指导，与研究生一起进行项目研究。科学教师将通过RET补充参与拟议的研究。他将特别关注在他的研究项目中增加少数民族和女性学生的数量。这项研究的结果也将用于pi的研究生和本科生课程的研究模块。

Technical. Intellectual Merit: This project addresses fundamental features of the electronic and chemical structure of molecular contact systems considered promising for molecular electronics. Detailed understanding of molecular contacts is a critical element in this field since, currently, the orbital alignment and charge injection barriers at molecular contacts is only poorly understood. The methodology to determine the electronic structure of molecular contacts is based on photoemission spectroscopy (PES), Kelvin probe (KP), and low energy electron diffraction (LEED). These experiments are enabled by an experimental set-up combining preparative and analytical capabilities allowing the deposition of contamination free molecular layers in vacuum and in a vacuum system attached glove box in inert atmosphere, providing self-assembled monolayers, Langmuir-Blodgett films and molecular multilayer stacks suitable for investigation with PES, KP and LEED. The project is collaborative with Hewlett Packard (HP) where current based characterization methods will be carried out in parallel to complementary efforts using exploratory molecular device structures. The combined results will provide a scientific basis for the selection of tailored molecule/electrode combinations. Objectives of the project include: (1) Investigation of the electronic structure of interfaces employed in explorative devices structures based on single molecular active layers. (2) Investigation of the electronic structure of "molecular alligator clips" used for self-assembled monolayer (SAM) based devices, and devices based on single molecules. (3) Investigation of deoxyribonucleic and ribonucleic acid (DNA, RNA) oligonucleotide based contacts, which are currently explored by several groups for the self-assembly of three-dimensional nano-structures for applications in integrated circuits and sensors. Broader Impact: Molecular electronics, and in combination with established CMOS technology, is considered a promising pathway to future integrated circuit generations, sensing and optoelectronic devices. This research is expected to provide new insights and understanding into charge transfer mechanisms at molecular contacts, which will improve the rational design capabilities of molecular structures. The collaborative interaction established with HP has the potential to result in the development of novel device structures with tailored electronic properties. Nontechnical. The project addresses fundamental materials research with strong technological relevance to electronics and photonics, and effectively integrates research and education. The project facilitates interdisciplinary education of students in a collaborative interaction between academia and industry. Graduate and undergraduate students will participate in the project allowing them to gain hands-on experience in forefront research. High school students will also be involved in the research program during their summer breaks through a recently started program, where gifted high school students are mentored by REU students to work on projects together with graduate students. Science teachers will participate in the proposed research through RET supplements. The PI will especially focus on increasing the number of minority and female students in his research program. Results of this research will also be used in research modules in the PIs' courses for graduates and undergraduates.