Physical origin of enhanced electrical conduction in aluminum-graphene composites

• Main Authors: Nepal, K, Ugwumadu, C, Subedi, K. N, Kappagantula, K, Drabold, D. A
• Format: Journal Article
• Language: English
• Published: 04-01-2024
• Subjects: Physics - Materials Science
• DOI: 10.48550/arxiv.2401.02348

The electronic and transport properties of aluminum-graphene composite
materials were investigated using ab initio plane wave density functional
theory. The interfacial structure is reported for several configurations. In
some cases, the face-centered aluminum (111) surface relaxes in a nearly ideal
registry with graphene, resulting in a remarkably continuous interface
structure. The Kubo-Greenwood formula and space-projected conductivity were
employed to study electronic conduction in aluminum single- and double-layer
graphene-aluminum composite models. The electronic density of states at the
Fermi level is enhanced by the graphene for certain aluminum-graphene
interfaces, thus, improving electronic conductivity. In double-layer graphene
composites, conductivity varies non-monotonically with temperature, showing an
increase between 300-400 K at short aluminum-graphene distances, unlike the
consistent decrease in single-layer composites.