I-Corps: Hexacoordinate pincer complexes for organic electronic devices

这个I-Corps项目的更广泛的影响/商业潜力是开发有机电子设备的材料。相关应用包括有机发光二极管（oled）、有机光伏电池（opv）、大面板显示器和植入式/可穿戴生物技术设备。转向有机电子产品提供了更灵活、更轻、更便宜和更可持续的设备。正在开发的材料提供针对电子工业部门的各种需求进行优化的定制电荷传输特性。这些材料与当前的材料加工技术兼容，可以快速集成到现有的设备制造流程中。这些材料可以提高设备效率，从而使设备在需要充电之前可以使用更长时间，以及延长设备寿命。这个I-Corps项目基于六坐标Si（钳子）2平台，特别适合于合成裁剪，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、电荷传输特性允许选择性调整材料的HOMO或LUMO水平，通过分子模型准确预测。Si（钳子）2配合物的分子几何结构提高了固态填充效率，促进了电荷传输，同时也确保了可以忽略不计的偶极矩和更高的热蒸发蒸汽压。六配位硅中心也加强了二阴离子钳形配体的平面性。该材料与当前的热蒸发技术兼容。该奖项反映了美国国家科学基金会的法定使命，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。

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.