Graphene-Mediated Lubrication of Phospholipid Membranes: Insights from Molecular Dynamics Simulations

In this study, we performed molecular dynamics simulations to investigate the lubricating properties of graphene situated between phospholipid membranes. Four membrane models were analyzed: 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) with 10% or 20% admixture of cholesterol, pure DMPC, and pure 1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine (DMPE). The simulations explored how varying the thickness of the water layer and the sliding speeds of graphene affect its interactions with the membranes. The results show that the presence of water and cholesterol significantly reduces the shear stress required to move graphene. In contrast, van der Waals interactions between graphene and lipids depend on membrane composition. These findings contribute to a better understanding of the potential of graphene as a biolubricant in biomedical applications.