1. Physical origin of enhanced electrical conduction in aluminum-graphene composites
- Author
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Nepal, K., Ugwumadu, C., Subedi, K. N., Kappagantula, K., and Drabold, D. A.
- Subjects
Condensed Matter - Materials Science - Abstract
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.
- Published
- 2024
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