Collaborative Research: Charge Transport in Confined Molecular Assemblies

在这个由化学部门大分子、超分子和纳米化学项目资助的合作项目中，德克萨斯农工大学的James D. Batteas和纽约城市大学亨特学院的Charles Michael Drain将设计、合成并评估组装在表面的卟卟类化合物的导电性能。使用定向组装方法来定位表面上的分子，该团队将研究：1)如何使用分子连通性和局部分子相互作用（即环境，最近邻相互作用）来影响电子传递行为；2)空间限制如何影响纳米级结表面上分子的组装。本研究的首要目标是对电活性卟啉类化合物、底物和环境在分子基电子器件的电子特性中所起的作用有一个清晰的认识。进一步了解这些协同效应将有助于合理设计潜在的More-than-Moore器件，包括增强型光伏、化学传感器和分子电子学。这项工作解决了纳米级分子组装的关键中间体，其性质可能由于空间限制而表现出独特的电行为。重要的是，这项工作弥补了单分子和单层测量之间的差距，这方面的研究很少。参与该项目的学生将从理论和实验的角度接受材料科学、纳米科学、表面化学和物理等多学科的培训，使他们能够在多个领域发展熟练程度。这项工作的成果将通过一系列科学出版物和在非正式公共科学活动和研究会议上发表的报告，广泛传播给广大读者。这项工作的一些方面也将作为小学生的示范，而更高级的主题将被带到德克萨斯农工大学和亨特学院的课堂上。

In this collaborative project, funded by the Macromolecular, Supramolecular and Nanochemistry Program of the Chemistry Division, James D. Batteas at Texas A & M University and Charles Michael Drain at Hunter College of the City University of New York will design, synthesize and evaluate the conductive properties of porphyrinoids assembled on surfaces. Using directed assembly approaches to position molecules on surfaces, the team will examine: 1) how molecular connectivity and local molecular interactions (i.e. environment, nearest neighbor interactions) can be used to influence electron transport behavior and 2) how spatial confinement influences the assembly of molecules on surfaces in nanoscopic junctions. The overarching goal of this research is to develop a clear understanding of the role each part of the electroactive porphyrinoid, the substrate, and the environment, plays in the electronic properties of molecular based electronic devices. Furthering the understanding of these synergistic effects will enable the rational design of potential More-than-Moore devices, including enhanced photovoltaics, chemical sensors and molecular electronics. This work addresses a key intermediate of nanoscale molecular assemblies whose properties may show unique electrical behavior due to spatial confinement. Importantly, this work bridges the gap between single molecule and monolayer measurements where little research has been conducted. Students participating in this project will receive multidisciplinary training in materials science, nanoscience, surface chemistry and physics from both a theoretical and experimental perspective, allowing them to develop proficiency in multiple arenas. The outcomes of this work will be widely disseminated to a broad audience through a range of scientific publications and presentations made at informal public science events and research conferences. Aspects of the work will also be incorporated as demonstrations for elementary school students, with more advanced topics being brought right into the classrooms at Texas A & M University and Hunter College.