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Elucidating the Impact of Electrostatic Interactions and Number of Layers on the Mechanisms of Ion Intercalation on Graphene Electrodes

阐明静电相互作用和层数对石墨烯电极离子嵌入机制的影响

基本信息

批准号：
1611268
负责人：
Joaquin Rodriguez Lopez
金额：
$ 51万
依托单位：
University of Illinois at Urbana-Champaign
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2016
资助国家：
美国
起止时间：
2016-07-01 至 2019-06-30
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1611268&HistoricalAwards=false
关键词：
Elucidating Impact Electrostatic Interactions Number

项目摘要

Non-Technical AbstractGraphene is an atomically-thin material with emerging electrochemical properties. With the support of the Solid State and Materials Chemistry program, this project studies the impact of its thickness, and the unique materials interactions it enables, on graphene's ability for inserting ions into its structure for applications in electrical energy storage. The scientific impact of this project consists of generating new knowledge that enables the use of simple chemical effects to improve the energy density and stability of battery electrodes. The integrated research, educational and outreach plan addresses learning opportunities for undergraduate and K-12 students. Activities include the modernization of electrochemical instruction and its diffusion through social media, direct laboratory instruction on energy materials through the "electrochemical bootcamp," and outreach activities organized through student organizations. The research team makes use of its identification with the Hispanic population and research group diversity to make an impact in the education, inclusion and retention of underrepresented groups in scientific disciplines. These groups will be exposed to cutting-edge science, using state-of-the-art characterization facilities and advanced computational tools.Technical AbstractThe research activity aims at elucidating the impact of graphene's atomic thickness in determining the mechanisms of ion intercalation, and to explore how native and external electrostatic interactions across its thin bulk modify the energetics and rate of intercalation processes. This project contemplates the following goals and approaches: (1) implementing the first electrochemical systematic study of non-aqueous ion intercalation on well-defined graphene electrodes by controlling the number of layers and interfacial electrostatic interactions via micro- and nanofabrication, (2) using in situ neutron reflectometry, transmission electron microscopy, and electrochemical microscopy methods to yield new insights into the intercalation mechanisms of alkaline ions on few layer graphene and the effects of surface modifications, and (3) using density functional theory for understanding quantitatively the energetic components of the electrostatic and electronic interactions and its coupling to innovative force field terms. The knowledge generated by this activity enables the use of simple electrostatic effects for tuning the energetics of ion insertion, potentially improving conditions for electrical energy storage, and establishing broad correlations between electrostatic effects and ionic interfacial and bulk reaction mechanisms that are extendable to other 2D-materials.

石墨烯是一种具有新兴电化学性质的原子级薄材料。在固态和材料化学计划的支持下，该项目研究了其厚度及其独特的材料相互作用对石墨烯将离子插入其结构中用于电能存储的能力的影响。该项目的科学影响包括产生新知识，使简单的化学效应能够提高电池电极的能量密度和稳定性。综合研究，教育和推广计划解决了本科生和K-12学生的学习机会。活动包括电化学教学的现代化及其通过社交媒体的传播，通过“电化学训练营”直接进行能源材料实验室教学，以及通过学生组织开展的外联活动。该研究团队利用其对西班牙裔人口的认同和研究群体的多样性，对科学学科中代表性不足的群体的教育、包容和保留产生影响。这些小组将接触到尖端科学，使用国家的最先进的表征设施和先进的计算工具。技术摘要该研究活动旨在阐明石墨烯的原子厚度在确定离子嵌入机制的影响，并探讨如何在其薄的体积修改的能量和嵌入过程的速率的本地和外部静电相互作用。该项目设想了以下目标和方法：（1）通过经由微米和纳米纤维控制层的数量和界面静电相互作用，在明确限定的石墨烯电极上实施非水离子嵌入的第一电化学系统研究，（2）使用原位中子反射计，透射电子显微镜，和电化学显微镜方法，以产生新的见解碱离子对几层石墨烯的插层机制和表面改性的影响，（3）利用密度泛函理论定量地理解静电和电子相互作用的能量分量及其与新力场项的耦合。由该活动产生的知识使得能够使用简单的静电效应来调节离子插入的能量学，潜在地改善电能存储的条件，并建立静电效应与可扩展到其他2D材料的离子界面和本体反应机制之间的广泛相关性。