UNS:EFFECT OF METAL OXIDE INTERACTIONS ON OXYGEN EVOLUTION REACTION FOR WATER ELECTROLYSIS

首席研究员(PI)之前的工作已经确定了一种很有前途的催化剂配方，用于在高酸性电催化环境中通过析氧反应(OER)产生氢气。该催化剂部分替代了成本较低的锡(Sn)，取代了昂贵的贵金属Ir(Ir)和Ru(Ru)。本研究的目的是进一步了解含锡催化剂高性能和高稳定性的原因，为开发更好的催化剂提供指导。这项拟议的工作将有助于为各种能源应用改进、降低成本的电催化剂，并将为高中生开发创造性的教育工具，以及为代表不足的少数民族提供本科生和研究生的机会。目前的建议扩展了PI以前使用氟掺杂混合氧化物SnIR催化剂的工作，以从根本上了解其高性能和减少贵金属负载量的原因。本课程将采用理论和实验相结合的方法，重点研究一系列具有不同的锡Ir比和不同F掺杂水平的SnIr催化剂。通过将表面和本体实验探针与密度泛函理论(VASP代码)计算方法相结合，他们将获得对F掺杂混合氧化物催化剂稳定性和性能属性的几何结构和电子结构的基本了解。与当前的催化剂技术相比，拟议的工作可能会广泛影响我们对催化剂促进水电解的理解，从而有助于燃料电池、氢气生产和整体能源可持续发展领域的进展。这项研究还将为本科生和研究生提供教育和培训机会，包括从北卡罗来纳农业和技术州立大学招收少数族裔学生。此外，PI将实施一项雄心勃勃的计划，让高中生参与围绕水分解的挑战和机会，包括视听动画和动手演示。

Previous work by the principal investigator (PI) has identified a promising catalyst formulation for the production of hydrogen via the oxygen evolution reaction (OER) in highly-acidic electrocatalytic environments. The catalyst partially substitutes lower-cost tin (Sn) for the expensive noble metals iridium (Ir) and ruthenium (Ru). The goal of the present study is to further understand the reasons for the high performance and stability of the the Sn-containing catalysts as a guide for developing even better catalysts. The proposed work will contribute to improved, lower cost, electrocatalysts for a variety of energy applications and will develop creative educational tools for high school students in addition to undergraduate and graduate opportunities for underrepresented minorities.The present proposal expands the PI's previous work with fluorine-doped mixed oxide SnIr catalysts to gain fundamental understanding of the reasons for their high performance with reduced noble metal loading. Both theoretical and experimental approaches will be employed focusing on a range of SnIr catalysts with varying Sn-to-Ir ratio, and with various levels of F-doping. By combining surface and bulk experimental probes with Density Functional Theory (VASP code)computational methods, they will obtain fundamental understanding of both the geometric and electronic structures responsible for the stability and performance attributes of the F-doped mixed oxide catalysts.The proposed work has the potential to broadly impact our understanding of water electrolysis as promoted by catalysts containing reduced amounts of expensive precious metals compared to current catalyst technology, thereby aiding progress in areas related to fuel cells, hydrogen production, and overall energy sustainability. The research will also provide education and training opportunities for undergraduate and graduate students, including recruiting minority students from North Carolina Agriculture and Technical State University. In addition, the PI will undertake an ambitious program to engage high school students in the challenges and opportunities around water hydrolysis including audio-visual animation and hands-on demonstrations.