Collaborative Research: Structure and Thermodynamics of Ionic Liquids at Solid Surfaces: the Return of Water

合作研究：固体表面离子液体的结构和热力学：水的返回

• 批准号: 1904202
• 负责人: Rui Qiao
• 金额: $ 22.17万
• 依托单位: Virginia Polytechnic Institute and State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2019
• 资助国家: 美国
• 起止时间: 2019-07-01 至 2024-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1904202&HistoricalAwards=false
• 关键词: Collaborative; Research; Structure; Thermodynamics; Ionic

Ionic liquids (ILs) have interesting physicochemical properties, including low volatility, high thermal stability, high CO2 solubility and selectivity, and unique solvation characteristics, making them promising candidates for applications involving CO2 capture, catalysis, and dispersion of colloidal particles. This collaborative project will combine experiments and molecular simulations aiming to understand the role of interfacial water at the interface between ILs and solid surfaces. The role of interfacial water on the electrification of solid surfaces and the structure of interfacial ILs will be investigated and its impact the CO2 adsorption at IL-solid interfaces will be studied. The proposed research aims to investigate the role of water on the interfacial structure of ILs and address the three-way coupling among surface electrification, water adsorption and ion self-assembly in the interfacial zone, which is crucial for resolving existing controversies on the effect of water on solid-IL interfaces. A multi-faceted experimental characterization (e.g., attenuated total reflectance Fourier transform infrared spectroscopy, X-ray reflectivity, and neutron reflectivity) will be integrated with computer simulations to obtain high-quality data and mechanistic insights on the effect of water on the structure of solid-IL interfaces and gas adsorption at these interfaces. This will help settle the controversies in the literature and provide guidelines for applications such as CO2 capture. To investigate how water affects the electrification of solid surfaces and the structure of interfacial ILs, mica will be used as the solid surface to test the hypotheses that water enables electrification of solid surfaces by effective dissolution of surface ions and impacts self-assembly of ILs via water-IL coupling. To investigate how water impacts the CO2 adsorption at IL-solid interfaces, silica will be used as the solid surface because of its relevance to applications including CO2 capture and catalysis. The insights gained from this project may enable the tailoring of solid-IL interfaces and gas adsorption at these interfaces by controlling the water content. In addition to training graduate students and developing new courses, the investigators plan to offer research opportunities to undergraduate students from underrepresented groups and pursue outreach activities to K12 students in collaboration with the Engineering Advancing Grade-school Education (ENGAGE) program at the University of Pittsburgh and the Center for the Enhancement of Engineering Diversity (CEED) at Virginia Tech.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.

离子液体（ILS）具有有趣的物理化学特性，包括低波动性，高热稳定性，高二氧化碳溶解度和选择性以及独特的溶剂化特性，使其成为涉及二氧化碳捕获，催化和胶粒颗粒分散体的应用的有希望的候选者。该协作项目将结合实验和分子模拟，以了解界面水在ILS和固体表面之间的界面中的作用。将研究界面水对固体表面电气化的作用和界面IL的结构，并将研究其影响IL-Solid界面上的CO2吸附。拟议的研究旨在研究水对IL的界面结构的作用，并解决界面区域中表面电气化，水吸附和离子自组装之间的三向耦合，这对于解决现有的争议对水对固体含量界面的影响至关重要。多面实验表征（例如，衰减的总反射率傅立叶变换红外光谱，X射线反射率和中子反射率）将与计算机模拟集成，以获得水对水对固体IL接口和气体在这些接口处的结构的影响。这将有助于解决文献中的争议，并为诸如CO2捕获之类的应用提供准则。为了研究水如何影响固体表面的电气化和界面IL的结构，云母将用作固体表面，以测试水通过水 - il偶联的有效溶解表面离子来实现固体表面的假设。为了研究水如何影响IL - 固体界面上的CO2吸附，二氧化硅将被用作固体表面，因为它与包括CO2捕获和催化的应用相关。从该项目中获得的见解可以通过控制水含量来定制在这些界面上的固体界面和气体吸附。除了培训研究生和开发新课程外，调查人员还计划为来自代表性不足的小组的本科生提供研究机会，并与匹兹堡大学和匹兹堡大学的工程学教育（参与）和工程学的宣传课程合作，向K12学生提供外展活动通过基金会的智力优点和更广泛的影响评估标准通过评估来支持。

项目成果

Enabling Magnesium Anodes by Tuning the Electrode/Electrolyte Interfacial Structure

通过调整电极/电解质界面结构来实现镁阳极

• DOI: 10.1021/acsami.1c10446
• 发表时间: 2021
• 期刊: ACS Applied Materials & Interfaces
• 影响因子: 9.5
• 作者: Wen, Xiaoyu;Yu, Zhou;Zhao, Yifan;Zhang, Jian;Qiao, Rui;Cheng, Lei;Ban, Chunmei;Guo, Juchen
• 通讯作者: Guo, Juchen