Electrochemical Electron-Anion Exchange

第1部分：非技术概述锂离子电池已经成为便携式电子产品和汽车的主导技术，但电池的进一步发展需要探索替代方法。该项目通过探索锂以外的离子交换，对电池材料采取了一种不同的方法。具体地说，这项研究探索了阴离子的交换，到目前为止，这方面的研究还很少受到关注。为了提供对负离子使用的基本了解，该项目寻求发现可以运输和存储负离子的材料。此外，该项目还试图了解阴离子运动的机制。该项目使用对阴离子运动的计算预测来帮助发现材料。此外，该项目通过材料合成和表征实验验证了这些预测。通过将计算和实验相结合，这项工作提供了对新型材料的更深层次的理解，这些材料最终将通过改进电动汽车和便携式电子产品来影响社会。该项目通过让代表性不足的学生参与研究，并通过几个外展项目向更广泛的公众传授这项研究中的科学发现，促进了教育和多样性。第2部分：技术总结这项建议发展了对电化学电子-阴离子交换的基本理解，在这个过程中，材料中的电子在电化学控制下被阴离子取代。这种交换过程以前没有被研究过，但有可能生产出具有良好特性的电池。这项研究项目将数据挖掘和预测建模、新材料的合成和高级表征结合在一起，旨在实现以下目标：(1)确定能够显示电化学电子-阴离子交换的材料的设计规则，(2)了解组成和结构如何影响阴离子扩散速度，以及(3)了解组成和结构如何影响电子扩散速度和机制。这三个目标将提供对一类新材料的基本了解，无论是在结构和动力学方面。这一新的理解将加速未来类别的电池和其他电子设备的发展。该项目还通过开发几个项目来改善科学教育。这些措施包括：(1)扩大HBCU本科生申请研究生院的人数，(2)让未被充分代表的本科生参与本研究项目，(3)创建一个新的写作计划，指导研究生撰写科学手稿和助学金，(4)通过动手演示让儿童和公众参与2D材料的研究，以及(5)让高中生参与研究，特别是那些来自未被充分代表人口的研究。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。

PART 1: NON-TECHNICAL SUMMARY Lithium-ion batteries have been a dominant technology in portable electronics and vehicles, but further developments in batteries require the exploration of alternate approaches. This project takes a divergent approach to battery materials by exploring exchange of ions other than lithium. Specifically, this research explores the exchange of anions, which, so far, have received little attention. To provide fundamental understanding into the use of anions, this project seeks to discover materials that can transport and store anions. In addition, the project seeks to understand the mechanism of anion movement. The project uses computational predictions of anion movement to aid materials discovery. In addition, the project experimentally validates these predictions through materials synthesis and characterization. By combining computation and experiment, this work provides a deeper understanding of new types of materials that will ultimately impact society by improving electric vehicles and portable electronics. The project advances education and diversity by involving underrepresented students in the research and by teaching the broader public about the scientific discoveries made in this research through several outreach programs. PART 2: TECHNICAL SUMMARYThis proposal develops a fundamental understanding of electrochemical electron-anion exchange, a process in which the electrons in a material are replaced by anions under electrochemical control. This exchange process has not been studied previously but has the potential to yield batteries with favorable characteristics. This research project combines data mining and predictive modeling, synthesis of new materials, and advanced characterization toward the objectives of: (1) identifying design rules for materials that can exhibit electrochemical electron-anion exchange, (2) understanding how composition and structure influence the rate of anion diffusion, and (3) understanding how composition and structure influence the rate and mechanism of electron diffusion. These three objectives will provide fundamental understanding into a new class of materials, both in terms of their structure and dynamics. This new understanding will accelerate the development of future classes of batteries and other electronic devices. This project is also improving scientific education by developing several programs. These include: (1) an outreach effort to increase the number of undergraduates from HBCUs who apply to graduate school, (2) involving underrepresented undergraduates in this research project, (3) creating a new writing program to give graduate students instruction on the writing of scientific manuscripts and grants, (4) engaging children and the general public in the research on 2D materials through hands-on demonstrations, and (5) involving high school students in the research, especially those from underrepresented populations.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.