Water wettability of floating graphene: Mechanism and Application

漂浮石墨烯的水润湿性：机理与应用

• 批准号: 2028826
• 负责人: Lei Li
• 金额: $ 48万
• 依托单位: University of Pittsburgh
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-09-01 至 2024-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2028826&HistoricalAwards=false
• 关键词: Water; wettability; floating; graphene; Mechanism

The water wettability of a solid surface is usually changed either by using a different material for the solid surface or by coating the surface. However, research over the past eight years has shown that water can (at least partially) “see through” an atomic-thick layer of a material such as graphene, giving rise to so-called “wetting transparency” effect. This finding provides a unique opportunity for designing multi-functional devices since it means that the wettability of an atomic-thick film can be tuned by selecting an appropriate supporting substrate. The picture becomes even more appealing if the substrate is a liquid, since one can readily change the liquid underneath the graphene, thereby providing real-time control of the wettability, a capability that would be very useful for water harvesting of moisture from the air and in droplet microfluidics devices. The research objectives of this project are to use experiments and computational simulations to understand the mechanisms of wetting transparency of graphene on liquid substrates and to demonstrate the real-time control of surface wettability. This project will promote the interest and participation in research from K-12 to graduate students in many ways, e.g., by providing research training to graduate and undergraduate students, developing new courses, and conducting outreach activities. The PIs will integrate experimental and computational efforts to pursue two specific aims. First, how liquid substrates affect the wettability of graphene will be uncovered by investigating how molecular mobility, charge doping, polarization, and dispersion interactions impact the wetting transparency. Second, the range of wettability modulation as well as the mechanical robustness of floating graphene will be enhanced, and the real-time manipulation of the wettability will be demonstrated. The nature of wetting transparency of graphene on liquid substrates will be elucidated, and a state-of-the-art force field, including charge-flow polarization and many-body dispersion, will be constructed and utilized to compute the wettability of floating graphene and to establish the relative importance of various types of interactions for the wetting transparency. Using liquid as the supporting substrate opens a new dimension for designing devices with real-time wettability control, which is highly desirable in water harvesting, biomedical devices, heat exchange, micro reactors and chemical separation.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.

通常，通过使用不同的材料作为固体表面或涂上表面来更改固体表面的水润湿性。但是，在过去八年中的研究表明，水可以（至少部分地）“透明”石墨烯等材料的原子厚层，从而产生所谓的“润湿透明度”效应。这一发现为设计多功能设备提供了独特的机会，因为这意味着可以通过选择适当的支撑底物来调整原子厚膜的润湿性。如果底物是液体，则图片变得更加吸引人，因为人们可以很容易地更改石墨烯下方的液体，从而提供对润湿性的实时控制，这种能力对于从空气和液滴微流体设备中收集水分非常有用。该项目的研究目标是使用实验和计算模拟来了解石墨烯在液体底物上润湿透明度的机制，并证明表面润湿性的实时控制。该项目将通过多种方式来促进K-12对研究生的研究并参与研究，例如，通过为研究生和本科生提供研究培训，开发新课程以及开展外展活动。 PI将整合实验和计算工作，以购买两个具体目标。首先，通过研究分子迁移率，电荷掺杂，极化和分散相互作用如何影响润湿透明度，可以发现液体底物如何影响石墨烯的润湿性。其次，将增强润湿性调制的范围以及浮石石墨烯的机械鲁棒性，并将证明对润湿性的实时操作。将阐明石墨烯在液体底物上的润湿透明度的性质，并将构建和利用一个最先进的力场，包括电荷流量极化和多体分散体，以计算浮石墨烯的润湿性，并建立各种类型相互作用的相互作用相互作用的相互作用相互作用的相互作用。 Using liquid as the supporting substrate opens a new dimension for designing devices with real-time wettability control, which is highly desirable in water harvesting, biomedical devices, heat exchange, micro reactors and chemical separation.This award reflects NSF's statutory mission and has been deemed honestly of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

项目成果

Effect of Environmental Contaminants on the Interfacial Properties of Two-Dimensional Materials

• DOI: 10.1021/accountsmr.2c00114
• 发表时间: 2022-09
• 期刊: Accounts of Materials Research
• 影响因子: 14.6
• 作者: Fan Yang;G. Stando;Annette G Thompson;Dhruthi Gundurao;Lei Li;Haitao Liu

Progress toward a one-electron model for the non-valence correlation-bound anions of polycyclic aromatic hydrocarbons

• DOI: 10.1088/2516-1075/ac522a
• 发表时间: 2022-03-01
• 期刊: ELECTRONIC STRUCTURE
• 影响因子: 2.6
• 作者: Mulvey, Devin M.;Jordan, Kenneth D.
• 通讯作者: Jordan, Kenneth D.

Using metal substrates to enhance the reactivity of graphene towards Diels–Alder reactions

使用金属基底增强石墨烯对狄尔斯-阿尔德反应的反应活性

• DOI: 10.1039/d2cp01842j
• 发表时间: 2022
• 期刊: Physical Chemistry Chemical Physics
• 影响因子: 3.3
• 作者: Yang, Xiaojian;Chen, Feiran;Kim, Min A.;Liu, Haitao;Wolf, Lawrence M.;Yan, Mingdi
• 通讯作者: Yan, Mingdi