Studies of Metal-Organic and Organic Charge-Transport for Plastic Opto-Electronics

塑料光电电子学中金属有机和有机电荷传输的研究

• 批准号: 0309131
• 负责人: Seth Marder
• 金额: $ 48万
• 依托单位: Georgia Tech Research Corporation
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2003
• 资助国家: 美国
• 起止时间: 2003-09-01 至 2007-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0309131&HistoricalAwards=false
• 关键词: Studies; Metal; Organic; Charge; Transport

0309131MarderThe aim of this program is to improve the state-of-the-art of molecular charge-transport agents by: i) developing an understanding of the relative importance of disorder and reorganization energy in high-mobility materials and ii) developing high-mobility materials. This will be accomplished by minimizing reorganization energy by using systems with more-or-less non-bonding frontier orbitals, and by using systems with highly delocalized frontier orbitals; maximizing intermolecular electronic coupling by using systems with diffuse orbitals delocalized towards the periphery of the molecule, by using species capable of more isotropic overlap than typical organic charge-transport agents, and by using columnar discotic liquid-crystalline materials.To minimize reorganization energy, the energy required to move the electron whilst leaving nuclei frozen, systems should be selected in which the frontier orbitals have little bonding or anti-bonding character, or in which they are extensively delocalized. Removal of electrons from metal based orbital in organometallic compounds will be investigated in this regard. To maximize orbital overlap two approaches will be pursued. Firstly, organometallic and coordination compounds with rather more three-dimensional shapes (e.g. octahedral, tetrahedral) than most organic charge-transport agents (which often contain basically planar cores; e.g. the biphenyl unit in TPD) will be investigated. In this way, it is anticipated that the overlap will not be dependent upon orientational factors in glassy media; i.e. that overlap between nearest neighbor molecules will always be good. Moreover, these materials are likely to form isotropic glasses with isotropic mobilities, which will be useful in some devices. This second approach involves examination materials that self-organize into columnar discotic mesophases in which overlap along the column of molecules is maximized. In the process of performing this research students will receive an interdisciplinary training, working on both synthesis and physical measurements.

0309131 Marder该计划的目的是通过以下方式改善分子电荷传输剂的最新水平：i）了解高迁移率材料中无序和重组能量的相对重要性，ii）开发高迁移率材料。这将通过使用具有或多或少非键前线轨道的系统和使用具有高度离域前线轨道的系统来最小化重组能来实现;通过使用具有向分子外围离域的扩散轨道的体系，通过使用能够比典型的有机电荷传输剂更各向同性重叠的物质，为了最小化重组能（在使原子核冻结的同时移动电子所需的能量），应该选择前沿轨道具有很少成键或反键特征的系统，或者选择前沿轨道广泛离域的系统。在这方面，将研究从有机金属化合物中的金属基轨道移除电子。 为了使轨道重叠最大化，将采取两种办法。首先，将研究具有比大多数有机电荷传输剂（其通常包含基本上平面的核;例如TPD中的联苯单元）更多的三维形状（例如八面体、四面体）的有机金属和配位化合物。以这种方式，预期重叠将不依赖于玻璃介质中的取向因素;即，最近邻分子之间的重叠将总是良好的。此外，这些材料很可能形成具有各向同性迁移率的各向同性玻璃，这将在一些器件中有用。第二种方法涉及自组织成柱状分散中间相的检查材料，其中沿分子柱的重叠沿着最大化。在进行这项研究的过程中，学生将接受跨学科的培训，从事综合和物理测量。