Defect formation and Interfacial Characteristics in Graphene Reinforced Aluminum Matrix Composites

Aluminum matrix composites (AMC) are highly desirable for applications that require strong yet lightweight materials for use in extreme conditions, such as electrical transmission systems and building infrastructure, transmission systems and building infrastructure. Graphene-reinforced aluminum composites are promising for improving electrical, thermal, and mechanical properties in AMCs, especially towards light weight applications. Although promising, the formation of different bonds at the Al/graphene interface can cause agglomeration and phase separation of the metal matrix making the synthesis of graphene-reinforced AMC challenging. Using electron charge transfer analysis from first-principles DFT calculations, we identify bonding characteristics at the Al/graphene interface that promote defect formation and may drive phase separation during synthesis. A deeper understanding of the bond formation

and their associated energetics can pave the way for better synthesis approaches of graphenereinforced AMCs.