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)、大屏幕显示器和可植入/可穿戴的生物技术设备。转向有机电子提供了灵活、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，针对电子行业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，并准备好快速集成到现有的设备制造流程中。这些材料可以提高器件的效率，导致器件在需要充电之前可以使用更长时间，以及器件寿命。该i-Corps项目基于六坐标Si(夹子)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、电荷传输性质允许选择性地调节材料的HOMO或LUMO水平，通过分子建模准确预测。硅(夹子)2络合物的分子几何结构提高了固态堆积效率，以促进电荷传输，同时还确保了可以忽略的偶极矩和更高的热蒸发蒸汽压。六面体的硅中心也加强了双阴离子钳形配体的平面性。这些材料与目前的热蒸发技术兼容。这一奖项反映了NSF的法定使命，并通过使用基金会的智力优势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.