The dominant role of N-containing side chains in peptide-mediated graphene dispersion and stabilization: A molecular dynamics simulation study

Key Points

• The research investigates how N-containing side chains in peptides facilitate the dispersion and stabilization of graphene in water.
• Conducted molecular dynamics simulations to analyze interactions between peptides and graphene.
• Evaluated the effect of different peptide side chains on graphene dispersion and stabilization in aqueous solutions.
• Assessed aggregation tendencies of graphene in the presence of various peptides.
• N-containing side chains significantly improve graphene dispersion in aqueous environments.
• Peptides with specific side chains reduce aggregation compared to those without.
• Simulation data indicate enhanced stability of graphene in water due to peptide interactions.