Molecular simulation of different structure dopamine-modified graphene oxide and its effects on thermal and mechanical properties of the epoxy resin system

Molecular dynamics (MD) simulations were carried out to explore the ideal structure design of graphene oxide (GO) modified by poly (dopamine) (PDA) which is more conducive to performances improvement of epoxy resin composites. The epoxy resin matrix was compounded with PDA-modified GO (PDA-GO) particles with different structures including the surface modification and the interlayer inserted modification. The interaction energy (Einter),...