Collaborative Research: DMREF: High-Throughput Screening of Electrolytes for the Next Generation of Rechargeable Batteries

合作研究:DMREF:下一代可充电电池电解质的高通量筛选

基本信息

项目摘要

Rechargeable batteries have become one of the most popular energy storage devices for electric vehicles, electronics, and grid energy storage. Developing novel electrolytes for the next generation of rechargeable batteries require more understanding of transport properties, microstructures, and the impact of microstructure on transport property. In this project, the investigators will systematically vary the composition and concentration of the electrolytes to determine the optimum solution for advanced rechargeable batteries. The success of the proposed research will provide high throughput experimentation/characterization and machine learning platforms. Moreover, the integrated research and educational programs will broadly impact the university, secondary education, and the general public. The research results will be into the investigators' courses and be used to train undergraduate and graduate students in the interdisciplinary research areas. New educational outreach initiatives include having an Electrolyte for Energy Storage workshop for local high school students and teachers each fall to enhance the broader impact of this NSF project.The fundamental interactions in the electrolyte directly determine the solvation structures, kinetics, and battery performance of the bulk electrolytes. Understanding the complex interactions and their correlation with electrolyte performance is significant for exploring their working mechanisms and realizing the rational design of battery electrolytes. The novelty of this proposal lies in the use of advanced high-throughput characterization with the help of MD simulation and machine learning to determine the link between molecular interactions and the macroscopic properties of battery electrolytes. The proposal aims to (1) gain a good understanding of the solvation structure through multimodal characterization methods Raman and X-ray for high throughput experimentation/characterization. High-throughput X-ray scattering techniques (USAXS/SAXS/WAXS for APS) will be used to characterize solution organization as a function of ion composition, ion concentration, and temperature; (2) to correlate the structure-property relationship by studying transport properties through high-throughput computational screening studies. A computational platform will be developed to screen structure/property relationships by AIMD and MD; (3) A machine learning-based data analysis platform will be created to predict and identify battery properties by analyzing high-throughput structural and simulation data.This project is supported by the Division of Materials Research and the Chemical, Biological, Environmental Engineering and Transport Systems.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.
可充电电池已成为电动汽车、电子产品和电网储能最流行的储能设备之一。开发用于下一代可充电电池的新型电解质需要更多地了解传输特性、微观结构以及微观结构对传输特性的影响。在该项目中,研究人员将系统地改变电解质的成分和浓度,以确定先进可充电电池的最佳解决方案。拟议研究的成功将提供高通量实验/表征和机器学习平台。此外,综合研究和教育计划将广泛影响大学、中等教育和公众。研究成果将纳入研究者的课程中,并用于培养跨学科研究领域的本科生和研究生。新的教育推广计划包括每年秋天为当地高中生和教师举办一次储能电解质研讨会,以增强该 NSF 项目的更广泛影响。电解质中的基本相互作用直接决定了电解质的溶剂化结构、动力学和电池性能。散装电解质。了解复杂的相互作用及其与电解质性能的相关性对于探索其工作机制和实现电池电解质的合理设计具有重要意义。该提案的新颖性在于利用先进的高通量表征并借助MD模拟和机器学习来确定分子相互作用与电池电解质的宏观特性之间的联系。该提案的目的是 (1) 通过用于高通量实验/表征的多模态表征方法拉曼和 X 射线获得对溶剂化结构的良好理解。高通量 X 射线散射技术(用于 APS 的 USAXS/SAXS/WAXS)将用于表征溶液组织随离子成分、离子浓度和温度的变化; (2) 通过高通量计算筛选研究来研究传输特性,从而关联结构-特性关系。将开发一个计算平台,通过AIMD和MD筛选结构/性质关系; (3) 将创建一个基于机器学习的数据分析平台,通过分析高通量结构和模拟数据来预测和识别电池特性。该项目得到材料研究部和化学、生物、环境工程和运输部的支持该奖项反映了 NSF 的法定使命,并通过使用基金会的智力价值和更广泛的影响审查标准进行评估,被认为值得支持。

项目成果

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Yang Zhang其他文献

Scale and Landscape Features Matter for Understanding Waterbird Habitat Selection
规模和景观特征对于理解水鸟栖息地选择很重要
  • DOI:
    10.3390/rs13214397
  • 发表时间:
    2021-10
  • 期刊:
  • 影响因子:
    5
  • 作者:
    Jinya Li;Yang Zhang;Lina Zhao;Wanquan Deng;Fawen Qian;Keming Ma
  • 通讯作者:
    Keming Ma
Influence of Ti3AlC2 addition on water vapor resistance of low‐carbon Al2O3–C refractories
Ti3AlC2添加量对低碳Al2O3·C耐火材料耐水蒸气性能的影响
In-situ construction of sequential heterostructured CoS/CdS/CuS for building “electron-welcome zone” to enhance solar-to-hydrogen conversion
原位构建连续异质结构 CoS/CdS/CuS,用于构建“电子欢迎区”以增强太阳能到氢气的转化
  • DOI:
    10.1016/j.apcatb.2021.120763
  • 发表时间:
    2022-01
  • 期刊:
  • 影响因子:
    0
  • 作者:
    Yilei Li;Qing Zhao;Yang Zhang;Yunchao Li;Louzhen Fan;Fa-tang Li;Xiaohong Li
  • 通讯作者:
    Xiaohong Li
Multi-level configuration and optimization of a thermal energy storage system using metal hydride pair
金属氢化物对热能存储系统的多级配置和优化
  • DOI:
    10.1016/j.apenergy.2018.02.138
  • 发表时间:
    2018
  • 期刊:
  • 影响因子:
    11.2
  • 作者:
    Penghui Feng;Zhen Wu;Yang Zhang;Fusheng Yang;Yuqi Wang;Zaoxiao Zhang
  • 通讯作者:
    Zaoxiao Zhang
Restacked melon as highly-efficient photocatalyst
重新堆叠的瓜作为高效光催化剂
  • DOI:
    10.1016/j.nanoen.2020.105124
  • 发表时间:
    2020-07
  • 期刊:
  • 影响因子:
    17.6
  • 作者:
    Yanlong Wang;Yang Zhang;Baozhong Li;Kun Luo;Kaiyuan Shi;Li Zhang;Yi Li;Tianjun Yu;Wentao Hu;Chenlong Xie;Yingju Wu;Lei Su;Xiao Dong;Zhisheng Zhao;Guoqiang Yang
  • 通讯作者:
    Guoqiang Yang

Yang Zhang的其他文献

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{{ truncateString('Yang Zhang', 18)}}的其他基金

Collaborative Research: Spectral Discrimination of Single Molecules with Photoactivatable Fluorescence
合作研究:利用光激活荧光对单分子进行光谱辨别
  • 批准号:
    2246548
  • 财政年份:
    2023
  • 资助金额:
    $ 57万
  • 项目类别:
    Standard Grant
Collaborative Research: HCC: Small: Toolkits for Creating Interaction-powered Energy-aware Computing Systems
合作研究:HCC:小型:用于创建交互驱动的能源感知计算系统的工具包
  • 批准号:
    2228982
  • 财政年份:
    2023
  • 资助金额:
    $ 57万
  • 项目类别:
    Standard Grant
Collaborative Research: HCC: Small: Programmable Visual Capabilities of Environments through 3D printed Light-transfer
合作研究:HCC:小型:通过 3D 打印光传输实现环境的可编程视觉功能
  • 批准号:
    2213843
  • 财政年份:
    2022
  • 资助金额:
    $ 57万
  • 项目类别:
    Standard Grant
Framework: Sofware: Collaborative Research: CyberWater -An open and sustainable framework for diverse data and model integration with provenance and access to HPC
框架:软件:协作研究:Cyber​​Water - 一个开放且可持续的框架,用于将各种数据和模型集成到 HPC 的来源和访问权限
  • 批准号:
    2018500
  • 财政年份:
    2020
  • 资助金额:
    $ 57万
  • 项目类别:
    Standard Grant
IIBR: Informatics: RAPID: Genome-wide Structure and Function Modeling of the SARS-CoV-2 Virus
IIBR:信息学:RAPID:SARS-CoV-2 病毒的全基因组结构和功能建模
  • 批准号:
    2030790
  • 财政年份:
    2020
  • 资助金额:
    $ 57万
  • 项目类别:
    Standard Grant
Framework: Sofware: Collaborative Research: CyberWater -An open and sustainable framework for diverse data and model integration with provenance and access to HPC
框架:软件:协作研究:Cyber​​Water - 一个开放且可持续的框架,用于将各种数据和模型集成到 HPC 的来源和访问权限
  • 批准号:
    1835656
  • 财政年份:
    2019
  • 资助金额:
    $ 57万
  • 项目类别:
    Standard Grant
I-Corps: Soft Robotic Arms as Human-Compatible Machines
I-Corps:作为人类兼容机器的软机械臂
  • 批准号:
    1946216
  • 财政年份:
    2019
  • 资助金额:
    $ 57万
  • 项目类别:
    Standard Grant
Collaborative Research: ABI Development: Integrated platforms for protein structure and function predictions
合作研究:ABI开发:蛋白质结构和功能预测的集成平台
  • 批准号:
    1564756
  • 财政年份:
    2016
  • 资助金额:
    $ 57万
  • 项目类别:
    Standard Grant
Climate Mitigation and Earth System Management from Local to Global Scale: Modeling Technology-Driven Futures
从地方到全球规模的气候减缓和地球系统管理:模拟技术驱动的未来
  • 批准号:
    1049200
  • 财政年份:
    2011
  • 资助金额:
    $ 57万
  • 项目类别:
    Standard Grant
Collaborative Research: Developing an Intergovernmental Management Framework for Sustainable Recovery Following Catastrophic Disasters
合作研究:制定灾难性灾害后可持续恢复的政府间管理框架
  • 批准号:
    1029298
  • 财政年份:
    2010
  • 资助金额:
    $ 57万
  • 项目类别:
    Standard Grant

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离子型稀土渗流-应力-化学耦合作用机理与溶浸开采优化研究
  • 批准号:
    52364012
  • 批准年份:
    2023
  • 资助金额:
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职场网络闲逛行为的作用结果及其反馈效应——基于行为者和观察者视角的整合研究
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    72302108
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    2023
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    30 万元
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相似海外基金

Collaborative Research: DMREF: Closed-Loop Design of Polymers with Adaptive Networks for Extreme Mechanics
合作研究:DMREF:采用自适应网络进行极限力学的聚合物闭环设计
  • 批准号:
    2413579
  • 财政年份:
    2024
  • 资助金额:
    $ 57万
  • 项目类别:
    Standard Grant
Collaborative Research: DMREF: Organic Materials Architectured for Researching Vibronic Excitations with Light in the Infrared (MARVEL-IR)
合作研究:DMREF:用于研究红外光振动激发的有机材料 (MARVEL-IR)
  • 批准号:
    2409552
  • 财政年份:
    2024
  • 资助金额:
    $ 57万
  • 项目类别:
    Continuing Grant
Collaborative Research: DMREF: AI-enabled Automated design of ultrastrong and ultraelastic metallic alloys
合作研究:DMREF:基于人工智能的超强和超弹性金属合金的自动化设计
  • 批准号:
    2411603
  • 财政年份:
    2024
  • 资助金额:
    $ 57万
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    Standard Grant
Collaborative Research: DMREF: Predicting Molecular Interactions to Stabilize Viral Therapies
合作研究:DMREF:预测分子相互作用以稳定病毒疗法
  • 批准号:
    2325392
  • 财政年份:
    2023
  • 资助金额:
    $ 57万
  • 项目类别:
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Collaborative Research: DMREF: Topologically Designed and Resilient Ultrahigh Temperature Ceramics
合作研究:DMREF:拓扑设计和弹性超高温陶瓷
  • 批准号:
    2323458
  • 财政年份:
    2023
  • 资助金额:
    $ 57万
  • 项目类别:
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