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，孟菲斯大学的赵轩博士正在研究从水中生产氢气，作为一种有希望的方法来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利用定义明确的金属催化剂从水中实现可扩展的氢气生产。拟议的研究将通过产生新的基础科学、培训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来影响科学界和社会。孟菲斯地区的本科生，特别是少数族裔，将有机会参加国际学生联合会实验室的暑期研究项目。此外，还将向孟菲斯地区的本科生提供关于太阳能和可再生能源研究的年度研讨会。这项推广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追求职业生涯。在化学系化学催化计划的支持下，孟菲斯大学的赵轩博士正在研究分子钴五配位络合物催化放氢反应的基础科学。在热力学和动力学分析的基础上，系统的配体变化将允许评估有助于催化制氢活性的电子和空间因素。拟议的研究将使用先进的瞬变光谱技术(脉冲辐解、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关键催化中间体的电子结构，这些电子结构对H-H键的形成非常重要。在未来可再生能源转换应用的背景下，该计划的成功将导致在广泛的PHS范围内，包括在碱性溶液中，发现高效和稳定的新型水相制氢催化剂。该计划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，如二氧化碳减排、碳氢化合物官能化和绿色化学催化剂。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势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.