Collaborative Proposal: Bimetallic Oxyhydroxide Surfaces for Highly Active and Stable Acidic Oxygen Evolution Electrocatalysts

为了满足美国未来的能源需求，同时最大限度地减少碳排放，将需要可持续和可再生的能源和燃料。在催化作用的辅助下，电化学技术提供了一种无碳途径，利用清洁的可再生能源，如风能和太阳能，从水和电力中产生氢气。氢可直接用于发电(例如，通过高能效燃料电池技术)，或用作化学品或合成(即非化石)燃料的原料。然而，实现氢基燃料/化学经济的目标将需要比目前可用的更高效、更稳定和更低成本的电催化剂。为此，该项目将利用实验/理论合成、设计和表征方法来研究新型电催化剂材料和结构，以促进开发高活性和稳定的低贵金属含量的纳米结构电催化剂。该项目将把这项研究与教育和推广活动结合起来，以提高学生对我国对科学家和工程师的需求的认识，以应对能源和环境挑战。该项目将探索双金属氧氢氧化物的表面组成和结构，这些表面成分和结构对于电催化析氧反应(OER)具有活性和稳定性，方法是将一种在氧化电位下在酸性中高度稳定的金属与一种对放氧具有催化活性但不稳定的金属相结合。该项目的目标是(I)研究表面结构和组成对OER反应机理和活性的影响，以及对溶解反应的影响；(Ii)确定外加电位和水环境对OER活性中心和溶解过程的影响；以及(Iii)研究替代的活性过渡金属/支持金属对，以提高电催化剂的OER活性和稳定性。该合作项目将使用一种综合的实验和理论方法来研究双金属氢氧化物表面的结构-活性-稳定性关系，以确定不断变化的表面结构如何影响活性和稳定性。集成的计算-实验工作将提供关于OER和溶解反应的活性中心性质的更多洞察力。此外，还将研究电解液对反应中电子-质子耦合转移步骤的影响。这项工作将开发合成-结构-活性-稳定性相关性，可以导致改进的OER电催化剂以及其他电催化和催化反应的催化剂。该项目涉及一项综合教育活动，旨在为中学生开发基于视频的模块，以提高学生对科学、技术、工程和数学的兴趣，并旨在通过从德克萨斯州立大学(被归类为拉美裔服务机构)和德克萨斯农工大学的不同人才库中招募人才，扩大未被充分代表的群体的参与。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。

Sustainable and renewable energy and fuels will be required to meet future U.S. energy demands while minimizing carbon emissions. Electrochemical technology – aided by catalysis – offers a carbon-free route to generating hydrogen from water and electricity using clean, renewable energy sources such as wind and solar energy. The hydrogen can be used either directly for power generation (for example via energy-efficient fuel cell technology) or as a feedstock for chemicals or synthetic (i.e. non-fossil) fuels. Realizing the goal of a hydrogen-based fuel/chemical economy, however, will require more efficient, more stable, and lower-cost electrocatalysts than currently available. To that end, the project will investigate novel electrocatalyst materials and structures using experimental/theoretical synthesis, design, and characterization methods to facilitate development of highly active and stable nanostructured electrocatalysts with low precious metal content. The project will integrate the research with educational and outreach activities to increase student awareness of our Nation’s needs for scientists and engineers to address energy and environmental challenges. The project will explore bimetallic oxyhydroxide surface compositions and structures that are active and stable for the electrocatalytic oxygen evolution reaction (OER) by combining a metal that is highly stable in acid under oxidative potentials and a metal that is catalytically active for oxygen evolution but unstable. The project objectives are to (i) investigate the effects of surface structure and composition on the OER reaction mechanism and activity, and on the dissolution reaction; (ii) determine the effects of applied potential and aqueous acid environment on the active site for OER and the dissolution process; and (iii) investigate alternative active transition metal/supporting metal pairs for enhanced electrocatalyst OER activity and stability. The collaborative project will investigate structure-activity-stability relationships of bimetallic oxyhydroxide surfaces using an integrated experimental and theoretical approach to determine how an evolving surface structure affects activity and stability. The integrated computational-experimental effort will provide additional insight regarding the nature of the active site for both the OER and dissolution reactions. In addition, effects of the electrolyte on the coupled electron-proton transfer steps of the reaction will be investigated. The effort will develop synthesis-structure-activity-stability correlations that can lead to improved OER electrocatalysts as well as catalysts for other electrocatalytic and catalytic reactions. The project involves an integrated educational activity to develop video-based modules for secondary school students to increase students’ interest in science, technology, engineering, and mathematics and aims to broaden participation of underrepresented groups by recruiting from the diverse talent pool of students from Texas State University, classified as a Hispanic-Serving Institution, and Texas A&M University.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.