Understanding the Design and Conduction of Materials for Organic Electronics at the Molecular Level

本项目由材料研究部（DMR）的电子与光子材料项目（EPM）和化学部（CHE）的化学结构、动力学和机理项目（CSDM）共同资助。技术描述：有机材料作为标准硅基半导体的替代品，在柔性电子、传感器和光伏领域正迅速变得可行。然而，在这些体系中，电荷转移发生的物理机制与化学结构的关系尚不清楚。在这个项目中，在有机电子和光伏电池中表现出最佳性能的聚合物的重要建筑元素被分解到它们的分子类似物中，以研究它们在单分子水平上的电子和光诱导输运特性。分析了一系列低聚噻吩作为多噻吩及其衍生物的类似物，以了解其作为化学结构函数的传输特性。基于扫描隧道显微镜的断结技术用于测量单分子电荷输运特性和探测单分子结的光电导率。最后，通过分析将单分子输运测量结果与大块有机半导体器件特性相关联，实现了多尺度方法来理解高效有机半导体的结构和功能。通过结合单分子水平的合成和测量，该项目为开发用于有机电子和光伏的新型材料提供了分子设计规则。非技术描述：有必要了解能够开发具有先进输运特性的有机半导体材料的控制因素，以补充其无机对应物。该项目填补了聚合物半导体的单分子电子结构组件之间的空白，这些组件具有高迁移率和光伏特性。利用从单分子实验中获得的基本理解，可以设计出一类新的材料，这些材料可以在单分子结和器件结构中进行测试。除了开发影响有机电子学的新化合物外，该项目的一个组成部分是向高中、本科生和研究生介绍跨学科科学，旨在灌输追求科学事业的愿望。该项目的性质需要Venkataraman和Campos应用物理和化学组的研究生之间的密切合作。这些项目的一个重点是招收女大学生和（或）少数民族学生参加研究，并使她们成为理科研究生院的有竞争力的申请者。最后，有机电子学的基本概念将在曼哈顿的学校进行演示。

This project is jointly funded by the Electronic and Photonic Materials Program (EPM) in the Division of Materials Research (DMR) and the Chemical Structure, Dynamics and Mechanisms Program (CSDM) in the Division of Chemistry (CHE).Technical Description: Organic materials as alternates to standard silicon-based semiconductors are fast becoming viable in areas of flexible electronics, sensors and photovoltaics. However, the physical mechanism by which charge transfer occurs in relation to the chemical structure in these systems is not well understood. In this project, important architectural elements of polymers that exhibit the best performance in organic electronics and photovoltaics are dissected to their molecular analogues to study their electronic and photo-induced transport characteristics at the single-molecule level. A series of oligomeric thiophenes are analyzed as analogues of polythiophene and its derivatives to understand the transport characteristics as a function of chemical structure. The scanning tunneling microscope-based break-junction technique is used to measure single-molecule charge transport characteristics and to probe photoconductivity in single-molecule junctions. Finally, analysis to correlate results from single-molecule transport measurements to bulk organic semiconducting device characteristics is used, enabling a multi-scale approach to understanding structure and function of efficient organic semiconductors. Through a combination of synthesis and measurements at the single-molecule level, this project provides molecular design rules for the development of novel materials used for organic electronics and photovoltaics.Non-technical Description: There is a need to understand the governing factors enabling the development of organic semiconductor materials with advanced transport properties to complement their inorganic counterparts. This project bridges the gap between the single-molecule electronic structure components of polymeric semiconductors that exhibit high mobilities and photovoltaic characteristics. Using the fundamental understanding gained from single-molecule experiments enables the design of a new class of materials, which are tested in single molecule junctions as well as device architectures. In addition to developing new compounds that impact organic electronics, an integral part of the project introduces interdisciplinary science to high school, undergraduate and graduate students, aiming to instill a desire to pursue careers in science. The nature of the project requires a close collaboration between the graduate students in the Venkataraman and Campos groups, from Applied Physics and Chemistry. A focus of the PIs is also to recruit undergraduate women and/or minority students to participate in the research and prepare them as competitive applicants for graduate school in the sciences. Finally, basic concepts in organic electronics are adapted for demonstrations at schools in Manhattan.