Solvent-Solvent Correlations across Graphene: The Effect of Image Charges

Area of Science:

• Materials Science
• Surface Science
• Computational Chemistry

Background:

• Graphene's wettability is influenced by its supporting substrate.
• Previous simulations often neglect graphene's conductivity.
• Understanding graphene's interaction with liquids is crucial for applications.

Purpose of the Study:

• To investigate the effect of graphene's conductivity on its wettability.
• To compare wetting behavior of suspended vs. supported graphene.
• To explore molecular interactions across graphene during wetting.

Main Methods:

• Constant applied potential molecular dynamics simulations.
• Contact angle measurements of water and diiodomethane on graphene.
• Analysis of molecular correlations across the graphene sheet.

Main Results:

• Incorporating graphene conductivity reduces contact angle, especially when wetted from both sides.
• Graphene polarization alters molecular interactions, causing apparent attraction between like charges.
• Wetting translucency is observed with nonpolar liquids, confirming dispersive interaction effects.

Conclusions:

• Graphene's conductivity and polarization significantly impact its wettability.
• The findings provide a more accurate model for graphene-liquid interactions.
• This research has implications for graphene-based technologies like sensors and supercapacitors.