Nanoscale Elasto-Capillarity in the Graphene-Water System under Tension: Revisiting the Assumption of a Constant Wetting Angle

Artikel i vetenskaplig tidskrift, 2023

Wetting highly compliant surfaces can cause them to deform. Atomically thin materials, such as graphene, can have exceptionally small bending rigidities, leading to elasto-capillary lengths of a few nanometers. Using large-scale molecular dynamics (MD), we have studied the wetting and deformation of graphene due to nanometer-sized water droplets, focusing on the wetting angle near the vesicle transition. Recent continuum theories for wetting of flexible membranes reproduce our MD results qualitatively well. However, we find that when the curvature is large at the triple-phase contact line, the wetting angle increases with decreasing tension. This is in contrast to existing macroscopic theories but can be amended by allowing for a variable wetting angle.