Rational Design of High Dielectric Constant and Low Loss Dipolar Glass Polymers with Enhanced Orientational Polarization

增强取向偏振的高介电常数、低损耗偶极玻璃聚合物的合理设计

• 批准号: 1708990
• 负责人: Lei Zhu
• 金额: $ 46.5万
• 依托单位: Case Western Reserve University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2017
• 资助国家: 美国
• 起止时间: 2017-07-01 至 2021-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1708990&HistoricalAwards=false
• 关键词: Rational; Design; Dielectric; Constant; Low

NON-TECHNICAL SUMMARY:Numerous applications have been found for flexible hybrid electronics, including human performance monitoring, wearable medical sensors, information storage, and soft robotics. An indispensable component for flexible electronics is the printable dielectric layer, which regulates the electric current in the semiconductor. In response to this demand, this project is aimed at the design and development of novel printable high-performance dielectric polymers. In this project, a polymer theoretician will use advanced computer simulation to design and predict the dielectric properties for these new materials. A polymer chemist will synthesize the designed dielectric polymers, whose various properties and performance will be characterized by a polymer physicist (who will also be coordinating the research). A close loop among theoretical prediction, chemical synthesis, and polymer characterization will be built in the project to accelerate the progress. If successful, not only will our knowledge on polymer dielectric phenomena be advanced, but also new printable dielectric materials could ensue for future flexible electronics and energy-related applications. In addition to its industrial relevance, this project will also provide a comprehensive platform for education and outreach on science, technology, engineering, and mathematics (STEM). The project is aimed to include undergraduates and high-school students in research and to enhance diversity. It will also benefit an undergraduate/graduate course on Advanced Polymer Engineering which will include electrical properties of polymers for practical applications. Students will be encouraged to present their findings at local and major national meetings.TECHNICAL SUMMARY:A high-performance printable gate dielectric is an important component for future flexible field-effect transistors (FETs). To enhance the performance, past research has focused on decreasing the thickness of the gate dielectric, e.g., via self-assembled monolayers. Although high capacitance density can be achieved using ultrathin dielectrics, manufacturability has been challenging due to the susceptibility of ultrathin films to intrinsic defects, such as pinholes and grain boundaries. To circumvent this manufacturing challenge, the dielectric constant of printable gate dielectrics has to be substantially increased while keeping the dielectric loss low. In addition, gate dielectrics should have good mechanical stability and good response to external fields in a wide range of frequencies. To realize reliable printable/flexible FETs, this project aims to design and develop novel high-dielectric-constant and low-loss dipolar glass polymers with intrinsic microporosity (DG-PIMs). First, theoretical analysis and computer simulation using mixed full atomistic and coarse-grained molecular dynamics will guide the design and synthesis of DG-PIMs. Post-modifications will be employed to convert conventional PIMs into novel DG polymers. Both structural and dielectric properties will be characterized, and computer simulation studies will be refined on the basis of the experimental results. Through this cycle of computer simulation, polymer synthesis, structure/property characterization, and feedback, enhanced orientational polarization in the proposed DG-PIMs will be fully explored and improved new materials produced.

非技术总结：柔性混合电子产品的许多应用已经被发现，包括人体性能监测、可穿戴医疗传感器、信息存储和软机器人。柔性电子器件不可或缺的元件是可打印的介电层，它调节半导体中的电流。针对这一需求，本项目旨在设计和开发新型可打印的高性能介电聚合物。在这个项目中，一位聚合物理论家将使用先进的计算机模拟来设计和预测这些新材料的介电性能。聚合物化学家将合成所设计的介电聚合物，其各种性质和性能将由聚合物物理学家（也将协调研究）进行表征。项目将建立理论预测、化学合成和聚合物表征之间的闭环，以加快进展。如果成功的话，不仅我们对聚合物介电现象的认识会得到提高，而且新的可印刷介电材料也会随之而来，用于未来的柔性电子和与能源相关的应用。除了与工业相关外，该项目还将为科学、技术、工程和数学（STEM）的教育和推广提供一个全面的平台。该项目旨在让本科生和高中生参与研究，并增强多样性。它还将有利于高级聚合物工程的本科/研究生课程，该课程将包括实际应用的聚合物电性能。学生将被鼓励在地方和主要的国家会议上展示他们的发现。技术概述：高性能可打印栅极电介质是未来柔性场效应晶体管（fet）的重要组成部分。为了提高性能，过去的研究主要集中在减少栅极电介质的厚度，例如通过自组装单层。虽然使用超薄介质可以实现高电容密度，但由于超薄薄膜易受针孔和晶界等固有缺陷的影响，其可制造性一直具有挑战性。为了规避这一制造挑战，可打印栅极电介质的介电常数必须大幅提高，同时保持低介电损耗。此外，栅极电介质应具有良好的机械稳定性和在宽频率范围内对外部场的良好响应。为了实现可靠的可印刷/柔性场效应管，本项目旨在设计和开发具有固有微孔隙率（dg - pim）的新型高介电常数低损耗偶极玻璃聚合物。首先，利用全原子和粗粒度混合分子动力学进行理论分析和计算机模拟，指导dg - pim的设计和合成。后改性将用于将传统的pim转化为新型的DG聚合物。结构和介电性能都将被表征，计算机模拟研究将在实验结果的基础上得到完善。通过计算机模拟、聚合物合成、结构/性能表征和反馈的循环，将充分探索所提出的dg - pim中增强的取向极化，并改进新材料的产生。

项目成果

Nature of Ferroelectric Behavior in Main-Chain Dipolar Glass Nylons: Cooperative Segmental Motion Induced by High Poling Electric Field

• DOI: 10.1021/acs.macromol.7b02719
• 发表时间: 2018-02
• 期刊: Macromolecules
• 影响因子: 5.5
• 作者: Zhongbo Zhang;M. Litt;Lei Zhu

High Dielectric Constant Semiconducting Poly(3-alkylthiophene)s from Side Chain Modification with Polar Sulfinyl and Sulfonyl Groups

• DOI: 10.1021/acs.macromol.8b01895
• 发表时间: 2018-11-27
• 期刊: MACROMOLECULES
• 影响因子: 5.5
• 作者: Wang, Chunlai;Zhang, Zhongbo;Sauve, Genevieve
• 通讯作者: Sauve, Genevieve

Giant spontaneous polarization for enhanced ferroelectric properties of biaxially oriented poly(vinylidene fluoride) by mobile oriented amorphous fractions

• DOI: 10.1039/d0tc04632a
• 发表时间: 2021-01
• 期刊: Journal of Materials Chemistry C
• 影响因子: 6.4
• 作者: Guanchun Rui;Yanfei Huang;Xinyue Chen;Ruipeng Li;Dingrui Wang;Toshikazu Miyoshi;Lei Zhu

High Dielectric Constant Sulfonyl-Containing Dipolar Glass Polymers with Enhanced Orientational Polarization

• DOI: 10.1021/acs.macromol.8b00923
• 发表时间: 2018-08
• 期刊: Macromolecules
• 影响因子: 5.5
• 作者: Yufeng Zhu;Zhongbo Zhang;M. Litt;Lei Zhu