CAS: Linking bulk composition and structure to the dynamic active surface in OER

CAS：将本体成分和结构与 OER 中的动态活性表面联系起来

• 批准号: 2426120
• 负责人: Kelsey Stoerzinger
• 金额: $ 53.26万
• 依托单位: University of Minnesota-Twin Cities
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2023
• 资助国家: 美国
• 起止时间: 2023-10-01 至 2025-10-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2426120&HistoricalAwards=false
• 关键词: CAS; Linking; bulk; composition; structure

Many chemical processes rely on catalytic materials that enhance process efficiency and product selectivity by promoting chemical reactions at the catalyst surface. For example, water electrolysis – the splitting of water into its constituent hydrogen and oxygen gases – requires catalysts for both the hydrogen and oxygen evolution reactions (HER and OER). Catalyst design has historically been driven by an understanding of bulk material properties; however, the surface where reactions occur can change dramatically in the reaction environment. The project explores relationships between bulk and surface catalytic properties of perovskite materials as a pathway to efficient, sustainable, hydrogen production via electrocatalytic water splitting – thereby enabling the hydrogen economy. Additionally, the project develops related courses designed to train students in electrochemical devices for energy conversion and storage, while promoting outreach to underrepresented groups. This project illuminates relationships between perovskite material bulk template and surface properties, during and following electrocatalytic reactions. The resulting data will guide materials design at the atomic level. The primary drivers of transformations at functional interfaces will be identified - considering not only the role of materials composition (and associated electronic structure), but also two-dimensional templating from strain imposed by the underlying lattice, and three-dimensional templating from the presence of defects such as mobile cations and oxygen vacancies. Additionally, both the magnitude and length scale of charge transfer between the bulk and surface layer will be investigated. The project will combine atomically precise materials synthesis with surface-sensitive element-specific spectroscopy and microscopy, considering the family of (001)-oriented perovskite oxides for the oxygen evolution reaction (OER). Together, these studies will build understanding and ultimately control of the dynamic evolution of material interfaces, coupled with their activity and stability in the OER, enabling materials design to exploit this interphase region through innovative assemblies of matter. The work in this proposal will further be incorporated into hands-on learning activities and open-ended projects centered around electrochemical devices for energy conversion and storage in undergraduate curriculum and outreach to underrepresented groups.The project is co-funded by the Catalysis program in the Chemical, Bioengineering, Environmental and Transport Processes (CBET) Division and the Chemical Catalysis program in the Chemistry Division.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.

许多化学过程依赖于催化材料，其通过促进催化剂表面的化学反应来提高过程效率和产物选择性。例如，水电解-将水分解成其组成的氢气和氧气-需要用于析氢和析氧反应（HER和OER）的催化剂。催化剂设计历来是由对本体材料性质的理解驱动的;然而，发生反应的表面在反应环境中可能会发生显著变化。该项目探讨了钙钛矿材料的体相和表面催化性能之间的关系，作为通过电催化水分解实现高效，可持续制氢的途径-从而实现氢经济。 此外，该项目还开发了相关课程，旨在培训学生掌握用于能量转换和储存的电化学设备，同时促进对代表性不足的群体的宣传。该项目阐明了钙钛矿材料体模板和表面性质之间的关系，在电催化反应过程中和之后。 由此产生的数据将在原子水平上指导材料设计。在功能界面的转换的主要驱动程序将被确定-不仅考虑材料成分（和相关的电子结构）的作用，但也从底层晶格施加的应变二维模板，和三维模板的缺陷，如移动的阳离子和氧空位的存在。此外，体积和表面层之间的电荷转移的幅度和长度尺度将被调查。 该项目将把联合收割机原子级精确材料合成与表面敏感元素特定光谱和显微镜相结合，考虑用于析氧反应（OER）的（001）取向钙钛矿氧化物家族。总之，这些研究将建立理解和最终控制材料界面的动态演变，再加上它们在OER中的活性和稳定性，使材料设计能够通过创新的物质组装来利用这个界面区域。本提案中的工作将进一步纳入实践学习活动和开放式项目，这些项目围绕本科课程中的电化学设备进行能量转换和储存，并向代表性不足的群体推广。该项目由化学，生物工程，环境和运输过程（CBET）该奖项反映了NSF的法定使命，并被认为值得通过使用基金会的学术价值和更广泛的影响审查标准。