Abstract
Graphene-reinforced aluminum matrix composites have drawn remarkable attention in several fields of high-tech industries, but the understanding of their material properties remains unclear. This work reports a first-principles study of interface binding nature, mechanical strength, and electronic properties of aluminum/graphene (Al/G) composites using superlattice models as varying graphene content. Our calculations reveal the weak binding between Al and graphene layers with no new chemical bonding at the interface and the gradual decrease in binding strength as increasing graphene content. While demonstrating the enhancement of mechanical strength by interposing graphene layers, the critical value of graphene content for keeping ductility is determined to be 14.7%. Atom-projected band structures and local density of states are analyzed to get an insight into electronic conductance of superlattices.
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