NIRT: NanoElectroMechanical Systems (NEMS) using Light-Driven Molecular Shuttles as Active Nanostructures

这项NIRT计划的重点是开发可制造的纳米机电系统(NEMS)，在NEMS中，光驱动的人造分子航天器被用作“活性纳米结构”。PIS建议(1)开发基于自下而上的合成路线以创建新颖的光活性双稳态轮烷基分子航天器，(2)开发多尺度计算机辅助设计方法来帮助设计和优化分子航天器的分子结构/性质，(3)实验量化光活性双稳态轮烷从一种状态转换到另一种状态的响应时间，(4)开发分级纳米制造工艺以创建具有可控分子结构的双稳态轮烷基聚合物微/纳米结构，以及(5)展示以光活性双稳态轮烷基分子机为关键的新型功能MEMS/NEMS器件包括微流控平台、化学/生物传感器和能量转换/储存系统。智力价值：拟议的PI研究将导致为人造分子机创造新的合成路线，以及用于设计和优化分子结构/性质的新的计算机辅助方法。所提出的研究将在真正的功能性分子机器NEMS方面取得突破性成果。因此，他们将他们的努力瞄准了纳米技术承诺的本质，证明了已经进行的巨大投资的价值，并刺激了这些领域的加速活动。更广泛的影响：主计长和三个共同主计长都长期致力于教育和社区外展活动。在这笔NIRT赠款的支持下，他们来自四个研究所的团队将能够扩大现有的或开始新的针对少数群体、高中生、本科生、高中教师和中学生的外展活动。我们提议的努力的进展将包括在四所大学教授的课程中。此外，让学生沉浸在这种涉及有机化学、计算材料科学和纳米工程的纳米技术的跨学科方法中，将更好地装备学生适应不断变化的科学世界，使他们能够发展成为未来的领导者。

This NIRT proposal focuses on developing manufacturable NanoElectroMechanical Systems (NEMS) in which light-driven artificial molecular shuttles are used as the "active nanostructures." The PIs propose to (1) exploit the "bottom-up" based synthetic routes to create novel photoactive bistable rotaxane-based molecular shuttles, (2) develop multiscale computer-aided design methodologies to help design and optimize the molecular structures/properties of the molecular shuttles, (3) experimentally quantify the response time for photoactive bistable rotaxanes switching from one state to another, (4) develop hierarchical nanomanufacturing process for the creation of bistable rotaxane-based polymer micro/nano structures with controllable molecular architecture, and (5) demonstrate a new class of functional MEMS/NEMS devices with photoactive bistable rotaxane-based molecular machines as the key "active nanostructures," including microfluidic platforms, chemical/biological sensors, and energy conversion/storage systems. Intellectual Merit: The PIs proposed research will lead to the creation of new synthetic routes for artificial molecular machines, and new computer-aided methodologies for the design and optimization of molecular structures/properties. The proposed research will result in breakthrough achievements in real functional molecular-machine-based NEMS. Thus, they aim their effort at the essence of nanotechnologys promise, proving the value of the enormous investment already made and stimulating accelerated activities in these areas. Broader Impacts: The PI and three co-PIs each has longstanding commitments to education and community outreach activities. With the support from this NIRT grant, their team from four institutes will be able to expand the existing or start new outreach activities for minority groups, high-school students, undergraduates, high-school teachers, and middle-school students. The progress in our proposed endeavors will be included in courses being taught at the four universities. In addition, immersing their students in this interdisciplinary approach to nanotechnology, involving organic chemistry, computational material science, and nanoengineering will better equip students to adjust to the ever-changing scientific world, enabling them to develop into future leaders.