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

包含 MM 四重键（MM=Mo2、MoW 和 W2）的共轭 Pi 系统的电荷离域和迁移率以及光激发态

• 批准号: 1266298
• 负责人: Malcolm Chisholm
• 金额: $ 24万
• 依托单位: Ohio State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2013
• 资助国家: 美国
• 起止时间: 2013-09-15 至 2016-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1266298&HistoricalAwards=false
• 关键词: Charge; Delocalization; Mobility; Ground; Photoexcited

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.

化学系的化学结构、动力学和机制B项目支持俄亥俄州立大学的马尔科姆·奇泽姆教授为光子捕获和光伏应用合成新的分子材料。这些合成将把金属-金属四层结构单元(M=Mo或W)融入到共轭有机单元中，最终目的是通过金属到配体的电荷转移，吸收太阳光谱中整个可见光和近红外区域的阳光。我们将用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。新材料的设计将采用计算方法，其表征将采用详细的电化学研究，以帮助阐明电子和空穴的迁移率。最后，将与物理系和电工系的同事合作，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。它已经极大地影响了能源市场，使其成为化石燃料使用的一种可持续和更绿色的替代品。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与现在达到12%以上的效率竞争的领域。这项研究的新材料将对这一新兴领域做出贡献。这项将由研究生开展的工作将为他们提供合成和光谱技术方面的严格培训，并将成为光伏领域一个多学科项目的一部分，该项目涉及与物理和电气工程领域的人员合作。太阳能收集是公众非常感兴趣的话题之一，除了在科学期刊上发表文章外，我们还将邀请高中生和普通公众参加演示和演讲。