Investigation of Molecular Contacts and Interfaces

技术上的。智力价值：这个项目解决了分子接触系统的电子和化学结构的基本特征，被认为是分子电子学的有前途的。对分子接触的详细了解是这一领域的一个关键因素，因为目前对分子接触的轨道排列和电荷注入势垒了解很少。确定分子接触电子结构的方法是基于光电子能谱(PES)、开尔文探针(KP)和低能电子衍射(LEED)。这些实验是通过将制备和分析能力结合在一起的实验装置来实现的，该装置允许在真空和惰性气氛中的真空系统中沉积无污染的分子层，提供适合于PES、KP和LEED研究的自组装单分子膜、朗缪尔-布洛杰特膜和分子多层堆栈。该项目与惠普(Hewlett Packard)合作，在利用探索性分子装置结构进行互补工作的同时，将实施基于当前的表征方法。综合结果将为选择量身定制的分子/电极组合提供科学依据。该项目的目标包括：(1)研究基于单分子活性层的探索性器件结构中使用的界面的电子结构。(2)用于自组装单分子膜(SAM)器件和基于单分子器件的“分子鳄鱼夹”的电子结构研究。(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，目前几个小组正在探索三维纳米结构的自组装，以应用于集成电路和传感器。更广泛的影响：分子电子学与成熟的cmos技术相结合，被认为是通向未来集成电路、传感和光电子器件的一条有前途的途径。这一研究有望对分子间的电荷转移机制提供新的见解和理解，从而提高分子结构的合理设计能力。与惠普建立的协作互动有可能导致具有定制电子属性的新型设备结构的开发。非技术性的。该项目致力于与电子和光子学具有很强技术相关性的基础材料研究，并有效地将研究和教育结合在一起。该项目在学术界和产业界的协作互动中促进对学生的跨学科教育。研究生和本科生将参与该项目，使他们能够在前沿研究方面获得实践经验。高中生也将在暑假期间通过最近启动的一个项目参与研究项目，在该项目中，有天赋的高中生由REU学生指导，与研究生一起开展项目。科学教师将通过RET补充材料参与拟议的研究。PI将特别关注增加他的研究项目中的少数族裔和女性学生的数量。这项研究的结果也将用于研究生和本科生PIS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.