Structure and Dynamics at Organic Semiconductor Interfaces: The Influence of Molecular Electronic Structure

有机半导体界面的结构和动力学：分子电子结构的影响

• 批准号: 1213243
• 负责人: Oliver Monti
• 金额: $ 40.59万
• 依托单位: University of Arizona
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2012
• 资助国家: 美国
• 起止时间: 2012-08-01 至 2016-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1213243&HistoricalAwards=false
• 关键词: Structure; Dynamics; Organic; Semiconductor; Interfaces

With the support of this award from Chemical Structure, Dynamics and Mechanisms program in the Chemistry Division of the National Science Foundation, Professor Oliver Monti from the University of Arizona leads a team of scientists to investigate the critical factors that determine charge-transfer at interfaces of organic semiconductors. By choosing a class of related yet tunable organic semiconductor molecules on surfaces with well-defined properties, this research uniquely permits systematic control of the interface in order to extract the influence of the molecular and surface electronic structure on interfacial charge-transfer dynamics. Initial results show that easily accessible molecular properties such as the molecular dipole and quadrupole moment, together with the band structure of the surface, dictate in a predictive fashion the interfacial electronic structure both in ground and excited states. Research will establish how these properties determine the fate of electronic excitations at interfaces and will make it possible to unravel the underlying physics of interfacial charge-transfer in organic semiconductors. The highly controlled approach of the proposed experiments will advance understanding of charge-transfer processes to interfaces of extended pi-conjugated organic molecules with complex electronic structure and rich thin film growth properties. While interfacial charge-transfer is a crucial step in many chemical processes in general, it is central in novel solar energy conversion platforms and catalysis based on organic materials. The proposed research program will thus develop a deeper understanding of one of the fundamental driving forces in chemistry. With its focus on organic electronic materials it will aid in developing a scientific workforce both at the graduate and undergraduate level in the broader area of energy sciences, an area of critical national need. Findings from the proposed research will flow conceptually also into "Solar Wizards", a hands-on science show for children and their parents to discover the potential of sunlight as a power source and developed together with the local chapter of the Student Members of ACS (SMACS). "Solar Wizards" is anticipated to travel to "Solar Rock," a yearly multi-day community-based music festival in Tucson dedicated to alternative energy generation, and to after-school science programs in Native Nations schools on the outskirts of Tucson.

在美国国家科学基金会化学部化学结构、动力学和机制项目的支持下，亚利桑那大学的奥利弗·蒙蒂教授领导了一个科学家团队，研究决定有机半导体界面电荷转移的关键因素。通过选择一类相关的但可调的有机半导体分子的表面上具有明确的属性，这项研究独特地允许系统的界面控制，以提取的分子和表面的电子结构对界面电荷转移动力学的影响。初步结果表明，易于访问的分子性质，如分子的偶极和四极矩，连同表面的能带结构，在一个预测的方式决定在基态和激发态的界面电子结构。研究将确定这些特性如何决定界面处电子激发的命运，并将有可能揭示有机半导体中界面电荷转移的基本物理学。高度控制的方法，所提出的实验将推进电荷转移过程的理解扩展的π共轭有机分子具有复杂的电子结构和丰富的薄膜生长性能的接口。虽然界面电荷转移通常是许多化学过程中的关键步骤，但它是新型太阳能转换平台和基于有机材料的催化的核心。因此，拟议的研究计划将加深对化学基本驱动力之一的理解。随着其对有机电子材料的关注，它将有助于在能源科学的更广泛的领域，一个关键的国家需要的领域，在研究生和本科生水平发展科学劳动力。拟议研究的结果也将在概念上流入“太阳奇才”，这是一个为儿童及其父母提供的动手科学节目，旨在发现太阳光作为电源的潜力，并与ACS学生成员（SMACS）的当地分会共同开发。“太阳奇才”预计将前往“太阳摇滚”，每年为期多日的社区音乐节在图森致力于替代能源发电，并在图森郊区的土著民族学校课后科学计划。