NSERC-DFG SUSTAIN - Enhanced solar-energy capture through optimization of up- and down-conversion in organic molecules

NSERC-DFG SUSTAIN - 通过优化有机分子的上转换和下转换来增强太阳能捕获

• 批准号: 534268920
• 负责人: Professor Dr. Dirk M. Guldi
• 金额: --
• 依托单位: Department of Chemistry
• 依托单位国家: 德国
• 项目类别: Research Grants
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/534268920?language=en
• 关键词: NSERC; DFG; SUSTAIN; Enhanced; solar

This proposal outlines an interdisciplinary plan to expand the boundaries of solar-energy capture and conversion through the synthesis of carbon-rich molecules and materials. Strategically designed organic molecules will be used to overcome the thermodynamic limitations inherent to the current generation of processes used to convert light into electricity. Specifically, molecular design can be used to answer both fundamental and applied questions regarding two processes, singlet fission (SF) and triple-triplet annihilation upconversion (TTA-UC). The combination of these two processes in organic materials offers the potential for improved efficiency in the next generation of devices to harness solar energy. We propose that the stepwise substitution of acenes will allow incorporation of groups that can provide stability, solubility, and function (acenes = molecules featuring a linearly fused sequence of benzene rings). Precise control of the structure of acenes will facilitate solar-energy conversion through SF and TTA-UC. Careful molecular design is then combined with world-leading theoretical and photophysical characterization to understand, optimize, and implement organic molecules in solar cells. Photophysical analyses will provide a detailed mechanistic understanding of SF and TTA-UC through femto-, pico-, nano-, and micro-second-resolved experiments. In other words, we use spectroscopy to "watch" molecules over time frames as fast as one quadrillionth of a second to as slow as one thousandth of a second. To understand fundamental aspects of SF and TTA-UC, we will rely on complex theoretical and computational methods. These simulations provide theoretically derived models of these ultrafast processes that are spectroscopically observed after the molecules absorb light. Coupled with experimental measurements, a wholistic picture is developed both to understand individual classes of molecules as well as plan for their implementation into solar conversion schemes.

该提案概述了一项跨学科计划，旨在通过合成富碳分子和材料来扩大太阳能捕获和转换的范围。精心设计的有机分子将用于克服当前用于将光转化为电能的过程所固有的热力学限制。具体来说，分子设计可用于回答有关单重态裂变（SF）和三重态湮灭上转换（TTA-UC）这两个过程的基本和应用问题。这两种过程在有机材料中的结合为下一代利用太阳能的设备提供了提高效率的潜力。我们建议并苯的逐步取代将允许掺入可提供稳定性、溶解度和功能的基团（并苯=具有苯环线性稠合序列的分子）。对并苯结构的精确控制将有助于通过SF和TTA-UC进行太阳能转换。然后将仔细的分子设计与世界领先的理论和光物理表征相结合，以了解、优化和实施太阳能电池中的有机分子。光物理分析将通过飞秒、皮秒、纳秒和微秒分辨实验提供对 SF 和 TTA-UC 的详细机制理解。换句话说，我们使用光谱学在快至万亿分之一秒到慢至千分之一秒的时间范围内“观察”分子。为了理解 SF 和 TTA-UC 的基本方面，我们将依赖复杂的理论和计算方法。这些模拟提供了这些超快过程的理论推导模型，这些超快过程可以在分子吸收光后通过光谱观察到。与实验测量相结合，形成了一幅完整的图景，既可以了解分子的各个类别，也可以规划它们在太阳能转换方案中的实施。