Molecular Insights into the Effect of Crystal Planes on Droplet Wetting

Dynamic wetting by liquids on solid surfaces depends on several aspects such as surface energy, roughness, and interfacial tension, among many others. Copper (Cu), gold (Au), aluminum (Al), and silicon (Si) are a few of the most important metals that are used extensively as substrates in various industrial and biomedical applications. Metals are etched frequently on different crystal planes for fabrication purposes. Etching exposes distinct crystal planes that may come in contact with the liquids when used for different applications. The interaction of the crystal planes with the liquid that comes in contact with the solid dictates the wetting behavior of the surface. This necessitates the importance of understanding how various crystal planes of the same metals behave under similar conditions. Herein, three specific crystal planes, namely, (1 0 0), (1 1 0), and (1 1 1), are investigated at a molecular scale for the above-mentioned metals. The dynamic contact angle and contact diameter trends revealed that the relatively hydrophobic surfaces (Cu, Si) tend to reach their equilibrium contact angle faster compared to the hydrophilic substrates (Al, Au). Molecular kinetic theory is used to estimate the three-phase contact line friction which is found to be higher for (1 1 1) planes. Further, a consistent potential energy distribution variation is observed for the crystal lattice of (1 0 0), (1 1 0), and (1 1 1). These findings can be used as a guideline to determine the factors needed to completely describe a dynamic wetting phenomenon of the droplet over the different crystal planes. The understanding will be of great use in deciding experimental strategies where fabricated different crystal planes would be required to have a liquid contact.