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: 1438493
• 负责人: Huixin He
• 金额: $ 28.3万
• 依托单位: Rutgers University Newark
• 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=1438493&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.

标题：合作研究：有机电极上离子插入/提取机制的基本理解合作：首席研究员：何惠新（负责人）编号：1438493机构：罗格斯大学-纽瓦克首席研究员：王春生编号：1438198机构：马里兰大学学院公园迫切需要开发用于存储电力的电池那个 价格便宜并且使用可持续材料。 基于克罗康酸结晶盐等有机材料的可充电电池可能价格低廉，并且可以用可持续资源制造，但其功率较低，并且在多次充电循环后最终会出现故障。 该项目的目标是对这些材料充电循环期间的离子运动有一个基本的了解。然后可以利用这些信息来合理设计具有更高能量容量和更长循环寿命的有机电池。 该方法将利用先进的有机纳米线电池的合成和性能表征技术，并辅以强大的分子模型来预测离子运动。 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生提供电化学能源系统、纳米技术和计算建模等高科技领域的培训。 为了扩大参与范围，活动包括为高中生提供暑期研究经验的外展计划，以及为新泽西州低收入地区学区的科学教师举办可持续能源主题研讨会。技术说明用于电化学储能的有机材料可能价格低廉，并且可以用可持续资源制造，但存在能量密度低和循环故障的问题。 克服这些限制的潜力尚未实现，部分原因是对有机材料内离子插入/提取过程的了解不完整。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关系，形成对离子插入和提取机制的基本了解。 这些关系将通过密度泛函理论 (DFT) 和分子建模、原位电化学表征测量以及有机晶体结构表征来获得。这种方法将得到尺寸和形状受控的结晶克康酸二钠盐纳米线的合成和机械应变演化测量的补充。 从这项研究中获得的基本认识有可能使合理设计纳米级和微米级有机材料成为可能，从而获得具有高能量密度和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生提供电化学能源系统、纳米技术和计算建模方面的培训。 为了扩大参与范围，活动包括为高中生提供暑期研究经验的外展计划，以及为新泽西州低收入地区学区的科学教师举办关于可持续能源主题的研讨会。