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的目的是通过以下方式改善分子电荷 - 转运代理的最先进，i）对高弹性材料中的疾病和重组能量的相对重要性以及II）提高理解。这将通过使用具有更多或无键边界轨道的系统，以及使用具有高度分离式边界轨道的系统来最大程度地减少重组能量来实现；通过使用具有弥漫性轨道偏向分子外围的系统，通过使用能够比典型的有机电荷传输代理和典型的有机电荷转运剂，以及通过柱状圆柱盘液体液体晶体材料来使能量最小化的能量，该核能将核能降低，从而使核心范围降低了，否则将选择范围，从而使核能降至最小，从而使电子的能量最小化，否则将征服量的范围，从而使电子的能量最小化。边界轨道几乎没有粘结或反键合特征，或者在其中被广泛取代。在这方面将研究从有机金属化合物中的金属轨道中去除电子。 为了最大化轨道重叠，将采用两种方法。首先，比大多数有机电荷传输剂（通常含有基本的平面核心；例如，TPD中的双苯基单元）的有机金属和配位化合物（例如八维形状（例如八面体，四面体））。这样，预计重叠将不取决于玻璃介质中的取向因素。即，最近邻居分子之间的重叠永远是好的。此外，这些材料可能会形成各向同性迁移率的各向同性眼镜，这在某些设备中很有用。第二种方法涉及检查材料，这些检查材料将自组织成柱盘中的中间机，其中最大化沿着分子柱重叠的材料。在进行这项研究的过程中，学生将接受跨学科培训，从事合成和身体测量。