March 29, 2024

Measuring the “Wettability” of Graphene and Other 2D Materials at the Molecular Level

Presently used tiny measurement methods, such as reflection-based infrared spectroscopy or Raman spectroscopy, are incapable of selectively observing the interfacial water molecules. Because the number of water particles in the entire bulk of the liquid is much bigger than the particles that are making contact with the surface, the signal of interfacial water molecules is obscured by the signal of water particles in the bulk liquid.
To conquer this restriction, a research study group at the Center for Molecular Spectroscopy and Dynamics (CMSD) within the Institute for Basic Science (IBS) in Seoul, South Korea, and the Korea University exposed that vibrational sum-frequency generation spectroscopy (VSFG) could be used for determining the wettability of 2D-materials. The group prospered in determining the vibrational mode of water molecules in interfaces in between graphene and water utilizing VSFG spectroscopy.
( Left) VSFG spectra of interfacial water reveal that a dangling OH peak (3600 cm-1) appears when the graphene is more than 4 layers thick. (Right) The determined VSFG wettability is outlined against adhesion energy from macroscopic observation. Both worths coincide carefully, which shows increasing hydrophobicity as the number of graphene layers boosts. Credit: Institute for Basic Science
VSFG is an useful technique that can link the macroscopic measurement results with molecular-level properties. It is a surface-selective tool for investigating interfacial molecules using its own surface selection rule, and it has an excellent surface resolution with a few molecular layers.
The group identified the distinct ability of the graphene to forecast the wettability of the substrate onto its surface area, which is called moistening openness. They observed that the wetting transparency of graphene diminish as the variety of graphene layers increased, vanishing when the graphene is more than 4 layers thick. This is the first observation to explain that graphene surface becomes hydrophobic above a particular number of layers at the molecular level.
The scientists defined the brand-new principle of VSFG wettability, which is the ratio of water particles forming strong hydrogen bonds versus water molecules with weak or no hydrogen bond development. The VSFG wettability correlated highly with the adhesion energy, which is calculated from the observed macroscopic WCA measurements. This showed that VSFG is an effective tool for defining the wettability of a materials surface area.
Using VSFG wettability, the scientists determined the wettability of the graphene in real-time, as an electrical field was requested it to form graphene oxide. It is impossible to observe wettability in real-time with the conventional WCA experiments. This suggests that VSFG could be a decisive method for determining the water adhesion energy on any spatially confined interface where the water contact angle measurement can not be used. In addition to graphene, VSFG spectroscopy is anticipated to clarify the wettability of other low-dimensional materials.
Author Eunchan Kim keeps in mind: “This research study confirmed that VSFG spectroscopy could be used as a versatile tool for measuring the wettability.”, and “We demonstrate the prospective to measure the wettability of formerly unobservable complex systems through VSFG spectroscopy.”
Professor CHO Minhaeng, the Director of CMSD notes: “With VSFG spectroscopy, we are studying the microscopic properties of graphene as well as other two-dimensional functional materials such as graphene oxide and hexagonal boron nitride.”, and “Through this, it will be possible to fix numerous problems that hinder the commercialization of two-dimensional functional products.”
This research was published in the online edition of Chem (IF 22.804) on April 26th, 2022.
Referral: “Wettability of graphene, water contact angle, and interfacial water structure” by Eunchan Kim, Donghwan Kim, Kyungwon Kwak, Yuki Nagata, Mischa Bonn and Minhaeng Cho, 26 April 2022, Chem.DOI: 10.1016/ j.chempr.2022.04.002.

Water contact angle measurements of graphene provide details about macroscopic wettability. On the other hand, the VSFG experiment can offer info about the microscopic structure of interfacial water and the wettability of graphene. Credit: Institute for Basic Science
Tiny measurement of wettability can be attained at the molecular level utilizing vibrational sum-frequency generation spectroscopy (VSFG).
Wettability of the material is the capability of a liquid to maintain contact with a strong surface, and it is proportional to hydrophilicity and inversely proportional to hydrophobicity. It is among the most important properties of a strong, and comprehending the wettability of different substrates is vital for a range of industrial applications, such as desalination, covering agents, and water electrolytes.
Previously, many research studies on the wettability of substrates have been conducted at the macroscopic level. The macroscopic measurement of wettability is typically figured out by measuring the water contact angle (WCA), which is the angle a water droplet makes with regard to the surface area of the substrate. Accurately determining what takes place at the interface between a substrate and water at the molecular level is presently exceptionally challenging.

Water contact angle measurements of graphene give info about macroscopic wettability. On the other hand, the VSFG experiment can provide info about the microscopic structure of interfacial water and the wettability of graphene. The macroscopic measurement of wettability is typically identified by measuring the water contact angle (WCA), which is the angle a water bead makes with respect to the surface of the substrate. The scientists specified the brand-new idea of VSFG wettability, which is the ratio of water particles forming strong hydrogen bonds versus water particles with weak or no hydrogen bond development. Using VSFG wettability, the scientists measured the wettability of the graphene in real-time, as an electric field was used for it to form graphene oxide.