Investigations of the Relationship Between Molecular Structure and the Electronic Work Function in Metal Complex Thin Films

本研究项目由化学系化学结构、动力学与机理研究计划和材料研究系固体材料化学研究计划资助。科罗拉多州立大学的Michael Elliott和他的研究小组将探索一系列零价金属-联吡啶络合物的分子结构与由这些络合物制备的薄膜的电子功函数之间的关系。基于联吡啶基的配体可以容易地改性，这又允许金属络合物的整体电子结构的可调谐性，并且最终允许由这些络合物制成的薄膜的可调谐性。 合成，光谱和电化学表征，以及薄膜沉积程序的开发将在CSU的Elliott实验室完成。 功函数测量将与怀俄明州大学的布鲁斯帕金森教授合作完成。 这些金属配合物薄膜在发光器件和光电子学中的潜在应用将与国家可再生能源实验室的Brian Gregg博士合作进行研究。除了获得有关金属联吡啶体系结构-性质关系的具体信息外，该研究项目对发光二极管，光伏和其他基于分子的技术具有重要意义。除了上述可以通过化学结构改性来调节材料性质的可能性之外，金属联吡啶体系还提供了可以制备高质量薄膜的可能性，从而避免了目前低功函数金属膜（例如，成本高、扩大潜力有限等）。分子导体还提供了创建电子结的可能性，其中接触材料比许多当前设备中的化学相容性更好。 最后，这项研究活动将作为本科生和研究生培训的丰富环境;他们不仅将获得基础化学和物理学方面的专业知识，还将体验想法如何发展成为新技术，从原子尺度到有形设备。

In this project supported by the Chemical Structure, Dynamics and Mechanisms Program of the Chemistry Division, and the Solid State Materials Chemistry Program of the Division of Materials Research, Professor C. Michael Elliott and his research group at Colorado State University will explore the relationships between molecular structure in a series zero-valent metal-bipyridyl complexes, and the electronic work function of films prepared from these complexes. Ligands based on the bipyridyl group can be easily modified, which in turn allows for tunability of the overall electronic structure of the metal complex, and ultimately the thin films made from these complexes. The synthesis, spectral and electrochemical characterizations, and development of thin film deposition procedures will be done in the Elliott laboratory at CSU. Work function measurements would be done in collaboration with Professor Bruce Parkinson of the University of Wyoming. The potential application of these metal complex films in light-emitting devices and photovoltaics will studied in collaboration with Dr. Brian Gregg at the National Renewable Energy Laboratory.In addition to the specific information to be obtained regarding the structure-property relationships in metal bipyridyl systems, this research project has significant implications for light emitting diode, photovoltaic and other molecularly-based technologies. In addition to the aforementioned possibility that material properties can be tuned via chemical structural modification, the metal bipyridyl systems offer the possibility that high quality thin films can be prepared avoiding important challenges posed by vapor deposition procedures currently required for low-work function metal films (e.g., high cost, limited scale-up potential, etc). Molecular conductors also offer the possibility of creating electronic junctions where the contacting materials are more chemically compatible than in many current devices. Finally, this research activity will serve as a rich environment for the training of undergraduate and graduate students; they will not only gain expertise in fundamental chemistry and physics, but also experience how ideas develop into new technologies, literally from the atomic scale to the tangible device.