Fundamental Understanding of Ionic Insertion/Extraction Mechanism of Organic Electrodes

有机电极离子嵌入/脱嵌机理的基本理解

• 批准号: 1438198
• 负责人: Chunsheng Wang
• 金额: $ 11.7万
• 依托单位: University of Maryland, College Park
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2014
• 资助国家: 美国
• 起止时间: 2014-12-01 至 2018-11-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1438198&HistoricalAwards=false
• 关键词: Fundamental; Understanding; Ionic; Insertion; Extraction

Title: Collaborative Research: Fundamental Understanding of Ionic Insertion/Extraction Mechanism on Organic ElectrodesCollaborative:Principal Investigator: Huixin He (Lead)Number: 1438493Institution: Rutgers University - NewarkPrincipal Investigator: Chunsheng WangNumber: 1438198Institution: University of Maryland, College ParkThere is a strong need to develop batteries for storage of electricity that are inexpensive and use sustainable materials. Rechargeable batteries based on organic materials such as crystalline salts of croconic acid are potentially inexpensive and can be fabricated from sustainable resources, but suffer from low power and eventual failure after many re-charging cycles. The goal of this project is to develop a fundamental understanding of ion movement during the charging cycle in these materials. This information can then be used to rationally design organic batteries with improved energy capacity and long cycle life. The approach will make use of advanced techniques for synthesis and performance characterization of organic nanowire batteries that will be complimented by powerful molecular models to predict ion movement. An interdisciplinary team from two universities will be involved in this research effort. The interdisciplinary nature of this research will provide students at both the graduate and undergraduate levels with training in the high-tech fields electrochemical energy systems, nanotechnology, and computational modeling. To broaden participation, activities include an outreach program to provide high school students with a summer research experience, and a workshop for science teachers on sustainable energy topics from school districts in low-income areas of New Jersey.Technical DescriptionOrganic materials for electrochemical energy storage are potentially inexpensive and can be fabricated from sustainable resources, but suffer from low energy density and cycling failure. The potential to overcome these limitations has not been realized, due in part to an incomplete knowledge of ion insertion/extraction processes within the organic materials. The overall goal of this project is to develop a fundamental understanding of the ion insertion and extraction mechanism by elucidating the relationships for the thermodynamics and kinetics of ion insertion/extraction processes for lithium, magnesium, and sodium ions. These relationships will be obtained through density functional theory (DFT) and molecular modeling, in situ electrochemical characterization measurements, and characterization of organic crystal structures. This will approach will be complimented by synthesis and mechanical strain evolution measurements of crystalline croconic acid disodium salt nanowires of controlled size and shape. The fundamental understanding gained from this research can potentially enable the rational design organic materials ordered at the nanoscale and microscale for sustainable organic batteries with high energy density and long cycle life. An interdisciplinary team from two universities will be involved in this research effort. The interdisciplinary nature of this research will provide students at both the graduate and undergraduate levels with training in electrochemical energy systems, nanotechnology, and computational modeling. To broaden participation, activities include an outreach program to provide high school students with a summer research experience, and a workshop for science teachers on sustainable energy topics from school districts in low-income areas of New Jersey.

Title: Collaborative Research: Fundamental Understanding of Ionic Insertion/Extraction Mechanism on Organic ElectrodesCollaborative:Principal Investigator: Huixin He (Lead)Number: 1438493Institution: Rutgers University - NewarkPrincipal Investigator: Chunsheng WangNumber: 1438198Institution: University of Maryland, College ParkThere is a strong need to develop batteries for storage of electricity that便宜并使用可持续材料。 基于有机材料（例如鳄鱼的结晶盐）的可充电电池可能是廉价的，可以从可持续资源中制造，但经过许多重新充电周期后，低功率和最终失败。 该项目的目的是在这些材料的充电周期中对离子运动产生基本理解。然后，这些信息可用于合理设计具有改善能量能力和延长循环寿命的有机电池。 该方法将利用先进的技术来合成和性能表征有机纳米线电池，这些电池将由强大的分子模型来补充以预测离子运动。 来自两所大学的跨学科团队将参与这项研究工作。 这项研究的跨学科性质将为研究生和本科水平的学生提供高科技领域电化学能源系统，纳米技术和计算建模的培训。 为了扩大参与，活动包括一项宣传计划，旨在为高中生提供夏季研究经验，以及新泽西州低收入地区学区的科学教师的讲习班。技术描述用于电化学能源存储的有机材料潜在的价格廉价，可以是可持续资源的，但可以具有低能量的失败，但遭受了低度的失败和嘲笑的失败。 克服这些局限性的潜力尚未实现，部分原因是对有机材料中离子插入/提取过程的知识不完整。该项目的总体目标是通过阐明锂，镁和钠离子的离子插入/提取过程的热力学和动力学的关系来发展对离子插入和提取机制的基本理解。 这些关系将通过密度功能理论（DFT）和分子建模，原位电化学特征测量以及有机晶体结构的表征获得。这种方法将通过对受控大小和形状的晶体croconicac disodium盐纳米线的合成和机械应变演化的测量来称赞。 从这项研究中获得的基本理解可以有可能使纳米级和微观的有机材料能够用于具有高能量密度和较长循环寿命的可持续有机电池。 来自两所大学的跨学科团队将参与这项研究工作。 这项研究的跨学科性质将为研究生和本科水平的学生提供电化学能源系统，纳米技术和计算建模的培训。 为了扩大参与，活动包括一项外展计划，旨在为高中生提供夏季研究经验，以及新泽西低收入地区学区可持续能源主题的科学教师讲习班。