I-Corps: Hexacoordinate pincer complexes for organic electronic devices

I-Corps：用于有机电子器件的六坐标钳形复合体

• 批准号: 1952868
• 负责人: Thomas Schmedake
• 金额: $ 5万
• 依托单位: University of North Carolina at Charlotte
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-01-15 至 2021-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1952868&HistoricalAwards=false
• 关键词: Corps; Hexacoordinate; pincer; complexes; organic

The broader impact/commercial potential of this I-Corps project is to develop materials for organic electronic devices. Relevant applications include organic light emitting diodes (OLEDs), organic photovoltaic cells (OPVs), large panel displays, and implantable/wearable biotech devices. The switch to organic electronics offers flexible, lighter, cheaper, and more sustainable devices. The materials being developed offer customized charge transport properties optimized for the various needs of the electronics industry sectors. The materials are compatible with current material processing techniques and are ready for rapid integration into existing device manufacturing streams. These materials could enhance the device efficiency, leading to devices that can last longer before needing to be recharged, as well as device lifetime. This I-Corps project is based on the hexacoordinate Si(pincer)2 platform, uniquely suited for synthetic tailoring to meet the demand for low-cost materials with improved charge mobility in the organic electronics industry. The push-pull, charge transport nature of the pincer ligands allow for selective tuning of the material's HOMO or LUMO levels, accurately predicted through molecular modeling. The molecular geometry of the Si(pincer)2 complexes enhances solid state packing efficiency to facilitate charge transport, while also ensuring negligible dipole moments and higher vapor pressure for thermal evaporation. The hexacoordinate silicon center also enforces planarity of the dianionic pincer ligands. The materials are compatible with current thermal evaporation techniques.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

这个I-Corps项目更广泛的影响/商业潜力是开发有机电子器件的材料。 相关应用包括有机发光二极管（OLED）、有机光伏电池（OPV）、大型面板显示器和可植入/可穿戴生物技术设备。转向有机电子产品提供了灵活，更轻，更便宜，更可持续的设备。 正在开发的材料提供定制的电荷传输特性，针对电子工业部门的各种需求进行了优化。 这些材料与当前的材料加工技术兼容，并可快速集成到现有的器械制造流程中。 这些材料可以提高设备效率，导致设备在需要充电之前可以持续更长时间，以及设备寿命。 该I-Corps项目基于六配位Si（pincer）2平台，独特地适合于合成剪裁，以满足有机电子行业对低成本材料的需求，并提高电荷迁移率。 钳形配体的推拉、电荷传输性质允许选择性地调整材料的HOMO或LUMO能级，通过分子建模准确预测。 Si（pincer）2复合物的分子几何形状增强固态填充效率以促进电荷传输，同时还确保可忽略的偶极矩和用于热蒸发的较高蒸气压。 六配位的硅中心也加强了双阴离子钳形配体的平面性。该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。