Charge Delocalization and Mobility in Ground and Photoexcited States of Conjugated Pi-Systems Incorporating MM Quadruple Bonds (MM=Mo2, MoW and W2)

化学部的化学结构、动力学和机制B项目支持俄亥俄州州立大学的Malcolm奇泽姆教授合成用于光子捕获和光伏应用的新分子材料。该合成将金属-金属四重键合单元（M = Mo或W）并入共轭有机单元中，最终目的是该材料将通过金属到配体的电荷转移吸收太阳光谱的整个可见光和近红外区域的太阳光。将通过超快光谱研究光激发态，以确定单重态和三重态的寿命和电荷分布。计算方法将用于新材料的设计，其表征将采用详细的电化学研究，以帮助阐明电子和空穴迁移率。最后，我们将与物理系和电气工程系的同事合作，探索这些新材料在光伏器件中的应用。光子收集发电是一项重要的新兴技术。作为化石燃料使用的可持续和更绿色的替代品，它已经极大地影响了能源市场。固态无机材料的使用是一个迅速成熟的领域，而使用廉价有机材料的设备是过去十年中出现的一个领域，其效率现在达到12%以上。 这项研究的新材料将有助于这一新兴领域。由研究生进行的工作将为他们提供合成和光谱技术方面的严格培训，以及参与涉及与物理和电气工程人员合作的多学科计划的一部分。太阳能收集的主题是一个巨大的公众利益，除了在科学期刊上发表文章，我们将从事高中学生和公众在示范和会谈。

The Chemical Structure, Dynamics and Mechanisms B Program of the Chemistry Division supports Professor Malcolm Chisholm of the Ohio State University to synthesize new molecular materials for photon harvesting and photovoltaic applications. The syntheses will incorporate metal-metal quadruply boded unit units (M = Mo or W) into conjugated organic units, with the ultimate intent that the materials will absorb sunlight across the entire visible and near-infrared region of the solar spectrum by metal to ligand charge transfer. The photo- excited states will be investigated by ultra-fast spectroscopy to determine the lifetimes and charge distributions in the singlet and triplet states. Computational methods will be employed in the design of the new materials and their characterization will employ detailed electrochemical studies to aid in the elucidation of electron and hole mobility. Finally, the application of these new materials for photovoltaic devices will be explored through collaborations with colleagues in the Departments of Physics and Electrical Engineering.Photon harvesting to make electricity is an important emerging technology. It is already greatly influencing the energy market place as a sustainable and greener alternative to the use of fossil fuels. The use of solid-state inorganic materials is a rapidly maturing area, while that of devices employing inexpensive organic materials is one that is emerging over the past decade to compete with efficiencies now reaching better that 12%. It is to this emerging area that the new materials from this research will contribute. The work to be carried out by graduate students will give them a demanding training in syntheses and spectroscopic techniques as well as being part of a multidisciplinary program in photovoltaics involving collaborations with persons in physics and electrical engineering. The topic of solar energy harvesting is one of great public interest and in addition to publications in scientific journals we will engage high school students and the general public in demonstrations and talks.