CAS: Rational Design of Earth-Abundant Phosphide Hydrogen Evolution Catalysts

CAS：地球储量丰富的磷化物析氢催化剂的合理设计

• 批准号: 1955456
• 负责人: Kirill Kovnir
• 金额: $ 60.5万
• 依托单位: Iowa State University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-09-01 至 2024-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1955456&HistoricalAwards=false
• 关键词: CAS; Rational; Design; Earth; Abundant; CAS; Rational; Design; Earth; Abundant

With funding from the Chemical Catalysis Program of the Division of Chemistry, Drs. Kovnir and Johnson from Iowa State University are addressing a key socioeconomic problem: the strong dependence on fossil fuels. To that end, their research groups are studying the production of hydrogen from water via electrolysis. To produce hydrogen efficiently and economically by electrolysis improved electrode materials, known as electrocatalysts, are needed. This joint experimental and computational project is providing a fundamental understanding of how electrocatalysts with well-defined properties and structures can be modified to enhance their performance. Their collaborative and integrative synthetic, structural, and surface studies of electrocatalysts are providing a unique training and educational experience for student researchers. Students involved in the project include undergraduate and high-school students. Drs. Kovnir and Johnson are also engaged in broadening participation of underrepresented minorities in their research, including for example the ACS Summer Research Internship Program for Economically Disadvantaged High School Students. Dr. Kovnir is developing summer research projects to for undergraduate on sustainable materials and the undergraduate and graduate students are learning how to communicate science to the public through the Chemistry Learning Community outreach.Hydrogen is a sustainable fuel that is currently produced by catalyzed steam reforming (and burning of methane), which compromises all environmental benefits. Releasing hydrogen via catalytic electrolysis of water, if coupled with renewable energy sources, is a future solution to this issue. Although heterogeneous catalysts accounts for 20% of the Gross World Product, to be sustainable and cheap, electrocatalysts based on earth-abundant elements are required. Recently, nanoparticle phosphides formed with abundant first-row transition-metals (Iron or Nickel) have been shown to be promising electrocatalysts for the hydrogen evolution reaction (HER). The surface of these electrocatalytic nanoparticles is difficult to control precisely and characterize, because each crystal facet on a nanoparticle has different atomic bonding and reactivity. Unsurprising then, with many facets participating in reactions, there is lack of fundamental understanding as to why some catalysts are better than others, and, more often than not, serendipity discovers new catalysts. Given that the structure of each surface facet is defined by the crystal structure of the bulk phase, Drs. Kovnir and Johnson of Iowa State University are studying the electronic behavior of the surface-active sites by the alternation of chemical bonding patterns in the bulk transition-metal phosphides. Fundamental relationships are being established between bulk structure, in-situ surface (crystal facet-dependent) structure, and electrocatalytic performance of model transition-metal–phosphide catalysts with tunable reactivities. With funding from the Chemical Catalysis Program in the Division of Chemistry these studies will aid progress toward the discovery of improved, cheaper, and environmentally sustainable HER electrocatalysts. Drs. Kovnir and Johnson are actively engaged in student participation in their research, including high school and undergraduate students, and students from underrepresented groups. Summer research and science communication opportunities are also being provided for these students.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.

通过化学划分计划的资金，博士。爱荷华州立大学的科夫尼尔和约翰逊正在解决一个关键的社会经济问题：对化石燃料的强烈依赖。为此，他们的研究小组正在研究通过电解从水中生产氢。为了通过电解有效地生产氢，需要改善电极材料（称为电催化剂）。这个联合实验和计算项目提供了对如何修改具有明确特性和结构的电催化剂的基本了解，以提高其性能。他们对电催化剂的合作，结构和表面研究的合成，结构和表面研究为学生研究人员提供了独特的培训和教育经验。参与该项目的学生包括本科和高中生。博士。科夫尼尔（Kovnir）和约翰逊（Johnson）还致力于扩大代表性不足的少数群体的研究，包括例如针对经济不利的高中生的ACS夏季研究实习计划。 Kovnir博士正在开发夏季研究项目，以供本科生的可持续材料，本科生和研究生正在学习如何通过化学学习社区宣传来与公众进行科学交流。氢是一种可持续的燃料，目前是由催化的蒸汽重整（燃烧甲烷）生产的，这构成了所有环境效益。如果将水与可再生能源结合使用，则通过催化电解释放氢，这是该问题的未来解决方案。尽管异质的催化剂占世界总产品的20％，但要具有可持续性和廉价，但需要基于地球丰富元素的电催化剂。最近，已证明用丰富的第一行过渡金属（铁或镍）形成的纳米颗粒磷化物是氢进化反应（HER）的有希望的电催化剂。这些电催化纳米颗粒的表面很难精确地控制和表征，因为纳米颗粒上的每个晶体面具有不同的原子键和反应性。那时，由于许多方面参与了反应，因此缺乏基本的理解，即某些催化剂为什么比其他催化剂更好，而且偶然性通常会发现新的催化剂。鉴于每个表面的结构是由散装相的晶体结构DRS定义的。爱荷华州立大学的科夫尼尔和约翰逊正在通过批量过渡金属磷化物中化学键合模式的替代性来研究表面活性位点的电子行为。在散装结构，原位表面（晶体方面依赖性）结构与具有可调反应性的模型过渡金属 - 磷酸催化剂的电催化性能之间建立了基本关系。通过化学催化计划的资金，这些研究将有助于发现改善，更便宜和环境可持续的电催化剂。博士。科夫尼尔（Kovnir）和约翰逊（Johnson）积极从事学生参与他们的研究，包括高中和本科生，以及来自代表性不足的小组的学生。这些学生还提供了夏季研究和科学沟通机会。该奖项反映了NSF的法定任务，并通过使用基金会的知识分子优点和更广泛的影响审查标准评估，被认为是珍贵的支持。