Molecular Mechanism of Physical and Mechanical Improvement in Graphene/Graphene Oxide-Epoxy Composite Materials.

ABSTRACT: The performance provided by graphene (Gr) and graphene oxide (GO) additives can be improved by achieving strong adhesion and uniform dispersion in the epoxy resin matrix. In this study, molecular modeling and simulation of DGEBA/DETA based epoxy nanocomposites containing Gr and GO additives were performed. Density functional theory and molecular dynamics simulations were used to investigate interfacial interaction energies and Young's Modulus. Improvement in the interaction energies was studied by controlling the epoxy:hardener ratio, type and the number of oxygen-containing functional groups on the GO, the mass percentage of Gr/GO filler in the epoxy matrix, size and dispersion of GO in the cell. It was demonstrated that functional groups with up to 10 % oxygen content in GO significantly

SUBMITTER: Budak D 

PROVIDER: S-EPMC11648837 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature