CAREER: Tunable Metal Oxide Materials via Coordination Assembly of Molecular Clusters

职业：通过分子簇的配位组装可调节金属氧化物材料

• 批准号: 2046269
• 负责人: Alina Schimpf
• 金额: $ 60.5万
• 依托单位: University of California-San Diego
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2021
• 资助国家: 美国
• 起止时间: 2021-05-01 至 2026-04-30
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2046269&HistoricalAwards=false
• 关键词: CAREER; Tunable; Metal; Oxide; Materials

Non-technical summary: Solid-state metal oxides are a class of materials vital to current and emerging technologies. Making these materials with targeted and predictable properties, however, remains a challenge due to the lack of precise control over individual atom location. In this project, supported by the Solid State and Materials Chemistry Program in the Division of Materials Research, Prof. Schimpf uses the assembly of pre-formed molecular building-blocks as a route to metal oxides with well-defined, broadly tunable compositions and precisely tailored properties. This research consists of an iterative cycle of synthesizing materials, measuring properties and designing hypotheses to understand the structure-property relationships observed in these molecular-assembled metal oxides. The studies lead to new understanding of the factors that (1) govern the ability to synthesize metal oxides with diverse or complex compositions from pre-formed building-blocks and (2) dictate the properties of the resulting solid-state materials. This project also provides a platform for community college students to gain research experience designing and studying energy-relevant materials. The UC San Diego-based researchers work with faculty at Hispanic serving community colleges in the San Diego area to design projects for and mentor students at these institutions. The goals of these efforts are to attract students to careers in science, technology, engineering and mathematics (STEM) and to prepare them for future steps along this career path. Technical summary: This project, supported by the Solid State and Materials Chemistry Program in the Division of Materials Research, uses the coordination assembly of molecular metal oxide clusters to facilitate access to new and widely tunable metal oxide materials with diverse compositions and tailored properties. Unlike statistically doped semiconductors, molecule-based materials offer access to complex metal oxide compositions with precisely known atom positions, enabling careful structure-property evaluations. The researchers employ an iterative process to design and understand the modular properties of cluster-based metal oxide frameworks consisting of polyoxometalate (POM) anions bridged with metal cations. This process allows evaluation of which metal and cluster characteristics are important in dictating the assembly and resulting properties of metal oxide frameworks. Factors that are investigated include metal charge, oxidation state and hard/soft acidity and cluster charge, size and stability. Through a collaboration, theoretical modeling supports explanations of observed structure-property trends and resulting predictions for rational materials design principles. Results from this research are anticipated to provide guidelines for the rational design of molecule-based metal oxides with targeted properties. This project also forms the foundation to provide research experiences for community college students. Community colleges in the San Diego area serve a large percentage of students from disadvantaged racial, ethnic or economic groups, and thus offer an opportunity to engage an underrepresented part of our population in science, technology, engineering and mathematics (STEM) research and training.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.

非技术摘要：固态金属氧化物是对当前和新兴技术至关重要的一类材料。但是，由于缺乏对单个原子位置的精确控制，使这些具有针对性和可预测性能的材料仍然是一个挑战。在该项目中，在材料研究划分的固态和材料化学计划的支持下，Schimpf教授使用预先形成的分子建筑块的组装作为通往具有明确定义，可调宽的成分和精确定制特性的金属氧化物的途径。这项研究包括一个迭代材料，测量特性和设计假设的迭代循环，以了解在这些分子组装的金属氧化物中观察到的结构质体关系。这些研究导致了对（1）控制与预先形成的建筑区域不同或复杂组成的金属氧化物的能力的新理解，以及（2）决定所得固态材料的特性。该项目还为社区大学生提供了一个平台，以获得研究和研究与能源的材料的研究经验。这家位于圣地亚哥分校的研究人员与圣地亚哥地区西班牙裔社区学院的教师合作，为这些机构设计和指导学生。这些努力的目标是吸引学生从事科学，技术，工程和数学（STEM）的职业，并为他们做好沿着这一职业道路的未来步骤做好准备。技术摘要：该项目在材料研究部的固态和材料化学计划的支持下，使用分子金属氧化物簇的协调组装，以促进具有具有多种成分和量身定制特性的新的和广泛可调的金属氧化物材料。与统计上掺杂的半导体不同，基于分子的材料可访问具有精确已知原子位置的复杂金属氧化物成分，从而实现了仔细的结构 - 质体评估。研究人员采用了一个迭代过程来设计和理解由聚氧化盐（POM）阴离子组成的基于聚类的金属氧化物框架的模块化特性，这些阴离子（POM）与金属阳离子桥接在一起。该过程允许评估哪些金属和簇特性在决定金属氧化物框架的组装和产生特性中很重要。研究的因素包括金属电荷，氧化状态以及硬/软酸度以及簇电荷，大小和稳定性。通过协作，理论建模支持观察到的结构范围趋势的解释以及对理性材料设计原理的预测。预计这项研究的结果将为具有靶向特性的分子金属氧化物的合理设计提供指南。该项目还构成了为社区大学生提供研究经验的基础。圣地亚哥地区的社区学院为来自处境不利的种族，种族或经济群体的学生提供了很大一部分的学生，因此提供了一个机会，可以使我们在科学，技术，工程和数学研究和培训中参与我们人口不足的一部分。