Fundamental Understanding of Ionic Insertion/Extraction Mechanism of Organic Electrodes

职务名称：合作研究：对有机电极上离子插入/提取机制的基本认识合作：主要研究者：何惠新（领导）编号：1438493机构：罗格斯大学-纽瓦克主要研究者：王春生编号：1438198机构：马里兰州大学园区有一个强烈的需求，开发电池用于存储电力，是廉价的，使用可持续材料。 基于有机材料如克糖酸的结晶盐的可再充电电池可能是便宜的，并且可以由可持续资源制造，但是在许多次再充电循环之后遭受低功率和最终故障。 这个项目的目标是在这些材料的充电周期中对离子运动有一个基本的了解。这些信息可用于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，活动包括一个外展计划，为高中生提供一个夏季的研究经验，并从新泽西低收入地区的学区可持续能源主题的科学教师研讨会。技术说明用于电化学能量存储的有机材料可能是廉价的，可以从可持续的资源制造，但遭受低能量密度和循环失败。 克服这些限制的潜力尚未实现，部分原因是对有机材料内的离子插入/提取过程的了解不完整。本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，对离子插入和提取机制有基本的了解。 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，和表征有机晶体结构。这种方法将通过控制尺寸和形状的结晶克糖酸二钠盐纳米线的合成和机械应变演化测量来补充。 从这项研究中获得的基本理解可能使合理设计纳米级和微米级有机材料，用于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，活动包括一个外展计划，为高中生提供夏季研究经验，并为来自新泽西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。

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.