Supramolecular hydration structure of graphene-based hydrogels: density functional theory, green chemistry and interface application

• Hon Nhien Le,
• Duy Khanh Nguyen,
• Minh Triet Dang,
• Huyen Trinh Nguyen,
• Thi Bang Tam Dao,
• Trung Do Nguyen,
• Chi Nhan Ha Thuc and
• Van Hieu Le

Beilstein J. Nanotechnol. 2025, 16, 806–822, doi:10.3762/bjnano.16.61

• advance nanoscale properties and nanotechnology applications. Keywords: antibacterial coating; bioinspired hydration; density functional theory; graphene-based hydrogel; supramolecular structure; Introduction Biological cells are assemblies of biomolecules that are hydrated with water molecules. The

• dispersibility and reduced surface area of graphene-based materials in many applications, such as aqueous dispersions, polymer nanocomposites, and water-based paints. Our previous works demonstrated that in graphene-based hydrogel structures, the intercalation of water molecules between graphene-based sheets

• Brillouin zone (d). (a) Illustration of supramolecular self-assembly of a graphene-based hydrogel. (b) Depiction of a natural assembly of biological cells stabilized by hydration structures (water molecules on cell wall membranes are highlighted with blue color). (c) Drawing of a synthetic graphene-based