Electronic Structure in Single Molecule Transport

非技术描述：随着消费电子产品尺寸的迅速减小，需要制造更小的电子元件，其中基于单分子的器件是最终的小型化极限。尽管取得了令人印象深刻的进展，但分子尺度电子学的目标材料设计目前仍然具有挑战性。为了克服这一障碍，研究小组研究了在单分子极限和新开发的有机分子中探测的电流和电子特性。这些分子和新的实验方法旨在阐明在单分子极限下操作的器件（如晶体管、二极管和传感器）的功能和特性可以定制和优化的方法。该项目为开发远超当前小型化方法的下一代电子产品建立了设计规则。该研究计划培养研究生和本科生学者，包括妇女和代表性不足的少数民族，在材料科学的跨学科领域。此外，来自亚利桑那州农村地区的社区大学学生也参与了前沿研究，他们创建了一个可用的数据库，并展示了分子尺度电子学新兴分子设计规则的图形海报。技术描述：迫切需要将电子电路扩展到分子尺度极限，并开发超越硅基电子学的功能。分子电子学旨在通过利用有机分子的合成丰富性并将其集成到分子大小的设备中来应对这一挑战。然而，目前缺少的是对附着在电极上的分子的电子结构的详细理解，在纳米级，在偏压和平衡下。使用单分子断裂连接测量，研究小组通过首先开发新的分子设计来解决这个问题，这些分子设计可以创建高度定义的连接。然后，它系统地改变分子性质，以适应结合的接触-分子-接触系统的能级和波函数的变化。最后，提出了用光谱方法研究单分子结电子结构的新方法。主要研究人员协同联合收割机合成新材料，高灵敏度的测量运输单分子，先进的统计分析方法。该项目建立了将新电子技术推向最终尺寸极限所需的分子水平理解。通过培训下一代材料科学家，包括妇女和来自代表性不足的少数民族的学生，并通过将来自亚利桑那州农村的社区大学生融入前沿研究，研究团队培养了下一代材料科学领导者。

Nontechnical Description: As consumer electronics rapidly decrease in size, there is a need to fabricate ever smaller electronic components, with devices based on single molecules as the ultimate miniaturization limit. Despite impressive progress, targeted materials design for molecular-scale electronics is at present still challenging. In order to overcome this barrier, the research team investigates current flow and electronic properties probed in the single molecule limit and through newly developed organic molecules. The molecules and new experimental approaches are designed to elucidate ways in which the function and properties of devices operating at the single molecule limit, such as transistors, diodes and sensors, can be tailored and optimized. The project establishes design rules for developing next-generation electronics that far exceed current miniaturization approaches. The research program trains graduate and undergraduate scholars, including women and those from underrepresented minorities, in interdisciplinary areas of materials science. Additionally, community college students from rural Arizona are integrated in the cutting-edge research by creating a publically available database and graphical poster displays of emerging molecular design rules for molecular-scale electronics.Technical Description: There is an urgent need to miniaturize electronic circuits to the molecule-scale limit, and to develop functionalities beyond Si-based electronics. Molecular electronics aims to tackle this challenge by harnessing the synthetic richness of organic molecules and integrating them into molecular-sized devices. Currently missing however is a detailed understanding of the electronic structure of molecules attached to electrodes, at the nanoscale, under bias and out of equilibrium. Using single molecule breakjunction measurements, the research team addresses this issue by first developing new molecular designs that create highly defined junctions. It then systematically varies molecular properties to tailor changes to the energy levels and wavefunction of the combined contact-molecule-contact system. Finally, it advances new approaches to spectroscopically access the electronic structure in the single molecule junction. The principal investigators synergistically combine synthesis of new materials, highly sensitive measurements of transport in single molecules, and advanced statistical analysis methods. The project establishes the molecular-level understanding needed to push new electronic technologies to the ultimate size-limit. By training the next generation of materials scientists, including women and students from underrepresented minorities, and by integrating community college students from rural Arizona in cutting-edge research, the research team develops the next generation of leaders in materials science.