Novel Catalyst Supports for Water Electrolysis: Experimental and Theoretical Studies

kumtananoo结构的贵金属和贵金属氧化物因其电催化活性被用于质子交换膜（PEM）燃料电池和水电解槽中。酸性质子的产生和高电化学电位要求催化剂在这些腐蚀性极强的环境下保持稳定。因此，贵金属的成本为寻找稳定的催化剂载体提供了动力，以尽量减少负载，同时提高电催化活性。很少有材料能在1.8-2.0V电压下表现出理想的电导率和电化学稳定性。IV族氧化物，特别是SnO2，已知具有理想的电化学稳定性和中等的电子导电性。为了提高电催化活性的效率和减少催化剂的负荷，需要进一步提高其电子导电性。该项目将进行基础实验和理论研究，以确定一类新的不同的SnO2基材料，这些材料可能表现出改善的电解水的电化学和电子性能。该方法将使用从头算第一线原理技术来确定热力学稳定的混合金属氧化物，同时也使用高斯方法来确定母体和掺杂氧化锡在所需电化学电位下的电化学稳定性。新的化学方法将用于在这些稳定的催化剂载体上生成高表面积的Ir1-xRuxO2催化剂结构。将通过将高分辨率显微镜结果与逻辑电化学电位测定和电子电导率测试相关联，研究体积和表面微观结构和组成对电化学稳定性和电催化反应的作用。智力优势：将开发出一类具有良好电导率和电化学性能的新型纳米晶体混合金属氧化物催化剂载体，并将更好地理解潜在的电化学过程以及纳米尺度材料结构和微观结构对电化学稳定性和活性的影响；3)理论与实验的结合将为水电解制无碳氢的新型催化剂载体的设计与开发奠定基础。更广泛的影响：拟议的研究将推进用于PEM燃料电池和水电解的混合金属氧化物电催化的科学和技术。拟议的研究将为少数民族妇女和来自代表性不足群体的个人参与研究活动提供极好的机会。通过最近资助的美国国家科学基金会工程研究中心（ERC）与北卡罗来纳农业技术大学（NCAT）正在进行的现有合作将进一步帮助招募少数民族个人进入研究生项目。此外，将为当地高中学生开发基于网络的视听电化学工具，这些学生将被允许参与PI实验室的项目，并在竞争激烈的研讨会上展示他们的工作。

0933141KumtaNano-structured noble metals and noble metal oxides are used in proton exchange membrane (PEM) fuel cells and water electrolyzers for their electro-catalytic activity. The combined generation of acidic protons and the high electrochemical potentials require that the catalysts remain stable under these extremely corrosive environments. The cost of noble metals thus provides the impetus to search for stable catalyst supports to minimize the loading while also enhancing the electrocatalytic activity. Very few materials are known to exhibit the desired electrical conductivity and electrochemical stability at 1.8-2.0V. Group IV oxide particularly, SnO2 is known to exhibit the desired electrochemical stability as well as moderate electronic conductivity. There is a need to further improve its electronic conductivity to enhance the efficiency of the electro-catalytic activity and minimize the catalyst loading. This project will conduct a fundamental experimental and theoretical study to identify a new class of different SnO2 based materials that likely exhibit improved electrochemical and electronic properties for electrolysis of water. The approach will be to use first principles ab initio techniques to determine thermodynamically stable mixed metal oxides while also using the Gaussian methodology to identify the electrochemical stability of the parent and doped tin oxide at the desired electrochemical potentials. Novel chemical approaches will be used to generate high surface area Ir1-xRuxO2 catalyst structures on these stable catalyst supports. The role of bulk and surface microstructure and composition on the electrochemical stability and the electrocatalytic response will be studied by correlating high resolution microscopy results with logical electrochemical potentiometric, and electronic conductivity tests.Intellectual merits: A new class of nano-crystalline mixed metal oxide catalyst supports exhibiting desirable electronic conductivity and electrochemical properties will be developed, and a better understanding of the underlying electrochemical processes and the influence of nano-scale materials structure and microstructure on the electrochemical stability and activity will be generated; 3) The combination of theory and experiments will lay the foundation for the design and development of novel catalyst supports for the generation of carbon free hydrogen using electrolysis of water. Broader impacts: The proposed research will advance the science and technology of mixed metal oxides for electrocatalysis for use in PEM fuel cells and water electrolysis. The proposed studies will offer an excellent opportunity for minority women and individuals from underrepresented groups to participate in the research activity. The on-going existing collaboration with North Carolina Agriculture and Technical University (NCAT) through the recently funded NSF-Engineering Research Center (ERC) will further help to recruit minority individuals into the graduate program. Moreover, web-based audio-visual electrochemistry tools will be developed for local high school students who will be allowed to participate in projects in the PI's laboratory and present their work in a competitive workshop.