New Solution-Processable Phthalocyanine Derivatives with Near-Infrared Absorbing Condensed Phase Morphologies: Application to Organic Solar Cells

在这个由化学系化学结构、动力学和机理B项目和材料研究部电子和光子材料项目共同资助的项目中，亚利桑那大学化学系的Dominic McGrath教授将开发出具有有趣光电特性的新型酞菁染料。这项研究的目标是利用这些染料在新的光电子器件中的特性，特别是溶液可加工的太阳能技术，这些技术最终可能以低成本的方式生产，并具有可扩展性，为我们星球的可持续性做出有意义的贡献。该研究项目包括分子设计、合成、表征和凝聚态相材料特性的研究，因此将为各级科学家的培训提供一个多维的工具，包括那些在STEM领域代表性不足的学生。此外，还计划向K-12和社区大学的学生开展推广活动。酞菁发色团具有长波吸收性、光化学稳定性和光导电性等特点，可用于有机太阳能电池等太阳能转导技术。提出的合成开发了一类新的酞菁，旨在发展分子结构和凝聚态（即薄膜）性质（如电荷迁移率和光吸收）之间的基本理解。在本项目中，将制备四类新的酞菁发色团，以回答以下问题：1)c2对称的酞菁分子结构能否提供溶液可加工性，同时保持凝聚态紧密的分子重叠，这是近红外光谱响应和高电荷迁移率的关键？2)对于维持矢量电荷输运和高开路光伏至关重要的材料能量能否基于结构元素进行可预测的调制？3)这些材料的凝聚态性质，在适当优化后，能否转化为具有适当受体分子的设备平台上太阳能-电转换材料的可行性？

In this project jointly funded by the Chemical Structure, Dynamic & Mechanism B Program of the Division of Chemistry (CHE) and the Electronic and Photonic Materials program of the Division of Materials Research (DMR), Professor Dominic McGrath of the Department of Chemistry at the University of Arizona will develop new classes of phthalocyanine dyes with interesting optoelectronic properties. The goal of this research is to exploit the properties of these dyes in new optoelectronic devices, particularly solution processable solar energy technologies, which may ultimately be produced in a fashion that is low cost, and with a scalability that meaningfully contributes to the sustainability of our planet. This research program has elements of molecular design, synthesis, characterization, and investigation of condensed phased materials properties, and as such will provide a multidimensional vehicle for training of scientists from all levels, including those from students underrepresented in the STEM fields. Outreach activities to K-12 and community college students are also planned. Phthalocyanine chromophores display a combination of long wavelength absorbance, photochemical stability, and photoconductivity, making them useful for solar transduction technologies such as organic solar cells. The proposed synthesis develops a new class of phthalocyanines intended to develop a fundamental understanding between molecular structure and condensed phase (i.e. thin film) properties such as charge mobility and light absorption. In this project, four classes of new phthalocyanine chromophores will be prepared to answer the following questions: 1) Can a C2-symmetrical phthalocyanine molecular structure provide solution processibility while maintaining condensed phase close molecular overlap known to be critical to near-infrared spectral response and high charge mobility? 2) Can the material energetics, critical for maintaining vectorial charge transport and high open-circuit photovoltages, be predictably modulated based on structural elements? 3) Will the condensed phase properties of these materials, when appropriately optimized, translate to viability as materials for solar-electric conversion in device platforms with appropriate acceptor molecules?