Adhesion of Epoxy Resin with Hexagonal Boron Nitride and Graphite.

ABSTRACT: Adhesion interaction of epoxy resin with the basal surfaces of h-BN and graphite is investigated with the first-principles density functional theory calculations in conjunction with the dispersion correction. The h-BN/epoxy and graphite/epoxy interfaces play an important role in producing nanocomposite materials with excellent thermal dissipation properties. The epoxy resin structure is simulated by using four kinds of fragmentary models. Their structures are optimized on the h-BN and graphite surfaces after an annealing simulation. The distance between the epoxy fragment and the surface is about 3 Å. At the interface between h-BN and epoxy resin, no H-bonding formation is observed, though one could expect that the active functional groups of epoxy resin, such as hydroxyl (-OH) group, woul

SUBMITTER: Tsuji Y 

PROVIDER: S-EPMC6648480 | biostudies-literature | 2019 Mar

REPOSITORIES: biostudies-literature