Molecular Photonic Materials

在这个由化学系化学结构、动力学机制B项目资助的项目中，北卡罗来纳州-查佩尔山大学化学系的Gerald Meyer教授将开发具有有趣光电特性的新型分子材料。 这项研究的目标是了解锚定在金属氧化物表面的光吸收，氧化还原活性分子之间相互作用的基本性质。 所需相互作用的优化将使太阳光转化为电能的应用成为可能。该项目需要无机和材料合成以及太阳能电池制造，非常适合各级科学家的教育。 该小组也有能力为科学领域代表性不足的学生提供最高水平的教育和培训。 K-12学生的外联活动包括在当地图书馆和科学中心的演讲，也将是资助项目的一部分。 过渡金属多吡啶配合物锚定在氧化物表面时，显示出丰富的物理和电子转移性能。 拟议的研究集中在横向分子间的电子和能量转移自交换反应，提供了一个分子的基础上跨氧化物表面的电荷或能量的运输。 氧化还原活性将被开发作为一类新的“空穴传输”材料在太阳能电池中的应用。 一个新开发的时间分辨极化各向异性技术将被利用来表征横向电荷转移反应后，可能会发生激发态注入到宽带隙半导体氧化物，如二氧化钛。 这些研究将得到热电子转移研究和通过蒙特卡罗模拟建模的补充。 一个基本的目标是建立分子结构如何影响横向自交换速率常数。 特别注意将放在Cu（II/I）和Co（II/I）的自交换反应，涉及转移的电子和配体，行为，可能会导致什么被称为结构上的“门控”电子转移。 马库斯交叉关系将进行测试，以阐明是否横向电子转移反应，涉及化学变化，可以准确地预测与测得的自交换速率常数。

In this project funded by the Chemical Structure, Dynamic & Mechanism B Program of the Chemistry Division, Professor Gerald Meyer of the Department of Chemistry at The University of North Carolina - Chapel Hill will develop new classes of molecular materials with interesting optoelectronic properties. The goal of this research is to understand the fundamental nature of interactions between light-absorbing, redox-active molecules anchored to metal oxide surfaces. Optimization of desired interactions will enable applications for the conversion of sunlight to electrical power. The project required inorganic and materials synthesis as well as solar cell fabrication that is well suited to the education of scientists at all levels. This group is also well-positioned to provide the highest level of education and training for students underrepresented in science. Outreach activities for K-12 students involving presentations at the local library and Science Center will also be part of the funded project. Transition metal polypyridyl complexes display a rich array of photophysical and electron transfer properties when anchored to oxide surfaces. The proposed studies focus on lateral intermolecular electron- and energy-transfer self-exchange reactions that provide a molecular basis for the transport of charge or energy across the oxide surface. The redox activity will be exploited as a new class of 'hole-transport' materials for application in solar cells. A newly developed time-resolved polarization anisotropy technique will be exploited to characterize lateral charge transfer reactions that may occur after excited state injection into wide band gap semiconducting oxides such as TiO2. These studies will be complimented by thermal electron transfer studies and modelling through Monte Carlo simulations. A fundamental goal is to establish how molecular structure influences the lateral self-exchange rate constants. Particular attention will be placed on Cu(II/I) and Co(II/I) self-exchange reactions that involve transfer of an electron and a ligand, behavior that may result in what has been termed structurally 'gated' electron transfer. The Marcus cross-relation will be tested to elucidate whether lateral electron transfer reactions that involve chemical change can be accurately predicted with the measured self-exchange rate constants.