Fundamental Investigations into the Metal-Organic Framework Redox-Hopping Charge Transport

非技术总结：在这个由材料研究部固体与材料化学项目资助的项目中，弗吉尼亚理工学院和州立大学化学系的阿曼达莫里斯教授正在探索金属有机框架的电子性质。该项目的目标是学习如何控制这些属性，并帮助开发下一代智能窗户，电池，传感器和催化剂。该项目解决了当今环境和能源技术的关键挑战，因此具有真正变革性环境和经济效益的潜力。拟议的工作作为外展示威的灵感将在当地的儿童博物馆进行的K-5学生和教育丰富的机会在弗吉尼亚理工大学。主要研究者已经证明了通过与女性导师网络，oSTEM和霍华德休斯医学研究所包容性教学计划的活动，招聘和指导不同的本科生和研究生的承诺。 技术总结：金属有机框架（MOFs）已成为一个有前途的平台，用于电催化，电化学能量存储和电化学传感。这些应用的基础是电荷传输过程，即，电子通过分子轨道的运动与平衡离子的运动相耦合。Morris小组旨在建立MOF结构-功能关系，并确定电活性MOF合成的关键设计参数，沿着以下具体目标：（1）测量电荷传输速率作为载流子身份（电子或空穴）的函数。(2)揭示限制MOFs中电化学氧化还原跳跃离子传输的特性和/或过程，包括结构化溶剂和离子配对研究。(3)阐明缺陷（在MOF和晶界）在决定氧化还原跳跃电荷传输速率中的作用。最后，在一个迭代的反馈回路中，这些基础研究的结果及其在电致变色和生物质催化中的应用将被连接起来。该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

Non-technical Summary: In this project funded by the Solid State and Materials Chemistry program in Division of Materials Research, Professor Amanda Morris of the Department of Chemistry at Virginia Polytechnic Institute and State University is exploring the electronic properties of metal organic frameworks. The goal of the project is to learn how to control these properties and aid in the development of next generation smart windows, batteries, sensors, and catalysts. The project addresses critical, present-day environmental and energy technology challenges and thus, holds the potential for truly transformative environmental and economic benefits. The proposed work serves as the inspiration for outreach demonstrations to be conducted at a local children's museum for K-5 students and educational enrichment opportunities at Virginia Tech. The principal investigator has a demonstrated commitment to the recruitment and mentoring of diverse undergraduate and graduate students through activities with the Women’s Mentorship Network, oSTEM, and the Howard Hughes Medical Institute Inclusive Pedagogy Program. Technical Summary: Metal organic frameworks (MOFs) have emerged as a promising platform for electrocatalysis, electrochemical energy storage, and electrochemical sensing. Fundamental to these applications is the process of charge transport, i.e., the motion of electrons through molecular orbitals coupled to the motion of counter-balancing ions. The Morris group aims to establish MOF structure-function relationships and identify key design parameters for electroactive MOF synthesis along the following specific objectives: (1) Measure the rate of charge transport as a function of carrier identity (electron or hole). (2) Uncover the properties and/or processes that limit electrochemical redox-hopping ion transport in MOFs, including structured solvent and ion pairing investigations. (3) Elucidate the role of defects (in-MOF and grain boundaries) in dictating the rate of redoxhopping charge transport. Finally, in an iterative feedback loop outcomes of these fundamental studies and their application to electrochromics and biomass catalysis will be connected.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.