CAS: Hydrogen Evolution in Water Catalyzed by Molecular Cobalt Complexes with Pentadentate Ligands

在化学系化学催化项目的支持下，孟菲斯大学的赵旋博士正在研究从水中制氢，作为一种有前途的方法，为未来生产这种替代的、清洁的和可再生的燃料。拟议研究的发现将有可能使用定义明确的金属催化剂实现大规模的水制氢。拟议的研究将通过产生新的基础科学，培养研究生和本科生研究人员，以及传播可再生能源研究的重要性，对科学界和社会产生影响。孟菲斯地区的本科生，特别是代表性不足的少数民族，将有机会参加PI实验室的夏季研究项目。此外，每年将为孟菲斯地区的本科生提供太阳能和可再生能源研究研讨会。这项外展活动将向年轻的研究人员介绍太阳能转换前沿的挑战，并激励他们在可再生能源研究领域从事职业。在化学系化学催化项目的支持下，孟菲斯大学的赵旋博士正在研究分子钴配合物与五齿酸配体催化的析氢反应的基础科学。基于热力学和动力学分析，系统的配体变化将允许评估电子和空间因素，这些因素有助于氢生产的催化活性。该研究将采用先进的瞬态光谱技术（脉冲辐射分解、激光闪光光解和时间分辨红外光谱）和密度泛函理论计算来识别和表征对H-H键形成至关重要的关键催化中间体的电子结构。在可再生能源转化的未来应用背景下，该计划的成功将导致发现高效率和稳定的新催化剂，用于在广泛的ph值范围内（包括在碱性溶液中）的水制氢。该项目创造的新配体和金属化合物也将影响其他能源相关研究的基础研究，如二氧化碳还原、碳氢化合物功能化和绿色化学催化。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

With the support of the Chemical Catalysis program in the Division of Chemistry, Dr. Xuan Zhao of The University of Memphis is studying hydrogen production from water as a promising approach to generate this alternative, clean and renewable fuel for the future. Discoveries from the proposed research will have the potential to realize scalable hydrogen production from water using well-defined metal catalysts. The proposed study will impact the scientific community and society by the generation of new fundamental science, the training of graduate and undergraduate researchers, and the dissemination of the importance of renewable energy research. Undergraduate students in the Memphis region, particularly underrepresented minorities, will have an opportunity to participate in the summer research program in the PI's laboratory. In addition, annual workshops on solar and renewable energy research will be offered to undergraduate students in the Memphis area. This outreach activity will introduce young researchers to challenges at the forefront of solar energy conversion and inspire them to pursue careers in the field of renewable energy research.With the support of the Chemical Catalysis program in the Division of Chemistry, Dr. Xuan Zhao of The University of Memphis is studying the basic science of hydrogen evolution reaction catalyzed by molecular cobalt complexes with pentadentate ligands. Based on thermodynamic and kinetic analyses, systematic ligand variations will allow the evaluation of electronic and steric factors that contribute to catalytic activity for hydrogen production. The proposed study will employ advanced transient spectroscopic techniques (pulse radiolysis, laser flash photolysis and time-resolved infrared spectroscopy) and density functional theory calculations to identify and characterize the electronic structures of critical catalytic intermediates that are important for H–H bond formation. In the context of future applications in renewable energy conversion, the success of this program will lead to the discovery of new catalysts with high efficiency and stability for aqueous hydrogen production at wide range of pHs, including in alkaline solutions. New ligands and metal compounds created from this program will also impact fundamental studies in other energy-related research such as carbon dioxide reduction, functionalization of hydrocarbons, and green chemistry catalysis.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.