Effectively modulating hydrophobicity and surface nanobubble distribution on graphene through uniaxial compressive strain

Abstract

Graphene, owing to its intrinsically superhydrophobic nature, has been widely regarded as an ideal material for constructing highly stable nanobubble interfaces. However, the regulation of its hydrophobicity has long been constrained by irreversible atomic-scale structural damage and the complexity of fabrication processes. To address this challenge, we propose an innovative in-plane strain-driven strategy to modulate the hydrophobicity of graphene. Through molecular dynamics simulations, we systematically unveil the atomic-scale mechanisms governing the evolution of graphene's hydrophobicity under uniaxial compression. The study shows that uniaxial strain significantly enhances the polarization response of the graphene surface, thereby inducing a transition in its wettability from hydrophobic to hydrophilic. Based on these results, we further design a substrate structure with alternating hydrophobic and hydrophilic regions, allowing for precise control over the spatial distribution of surface gas-phase structures. Although current experimental techniques remain limited in applying such high levels of in-plane strain to monolayer graphene, this study aims to provide theoretical support and methodological insight for structural design in multiphase interface modulation as experimental capabilities continue to advance.