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.

固体表面的水润湿性通常是通过对固体表面使用不同的材料或涂覆表面来改变的。然而，过去八年的研究表明，水可以(至少部分地)穿透石墨烯等原子厚度的材料层，从而产生所谓的“润湿透明”效应。这一发现为设计多功能器件提供了一个独特的机会，因为它意味着可以通过选择合适的支持基片来调节原子厚膜的润湿性。如果衬底是液体，图片就会变得更加吸引人，因为人们可以很容易地改变石墨烯下面的液体，从而提供对润湿性的实时控制，这一能力对于从空气和液滴微流体设备中收集水中的水分非常有用。本项目的研究目标是通过实验和计算模拟来了解石墨烯在液体衬底上润湿透明的机理，并演示对表面润湿性的实时控制。该项目将通过多种方式促进从K-12到研究生的研究兴趣和参与，例如，通过为研究生和本科生提供研究培训，开发新课程，以及开展外联活动。PIs将把实验和计算工作结合起来，以实现两个具体目标。首先，通过研究分子迁移率、电荷掺杂、极化和分散相互作用对润湿透明度的影响，揭示液体衬底对石墨烯润湿性的影响。其次，将提高浮动石墨烯的润湿性调制范围以及机械稳健性，并展示润湿性的实时操纵。将阐明石墨烯在液体衬底上润湿透明度的本质，并将构建包括电荷流极化和多体分散在内的最先进的力场，并利用该力场来计算浮动石墨烯的润湿性，并确定各种类型的相互作用对润湿透明度的相对重要性。使用液体作为支持衬底，为设计具有实时润湿性控制的设备开辟了一个新的维度，这在水收集、生物医学设备、热交换、微型反应堆和化学分离中是非常理想的。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势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

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