Physical origin of enhanced electrical conduction in aluminum-graphene composites

Nepal, K.; Ugwumadu, C.; Subedi, K. N.; Kappagantula, K.; Drabold, D. A.

doi:10.1063/5.0195967

Title: Physical origin of enhanced electrical conduction in aluminum-graphene composites

Journal Article · 25 February 2024 · Applied Physics Letters

DOI: https://doi.org/10.1063/5.0195967 · OSTI ID:2337481

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Ohio Univ., Athens, OH (United States)
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

In this study, the electronic and transport properties of aluminum-graphene composite materials were investigated using the 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 and 400 K at short aluminum-graphene distances, unlike the consistent decrease in single-layer composites.

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Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO); National Science Foundation (NSF)

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 2337481

Alternate ID(s):: OSTI ID: 2340913

Report Number(s):: PNNL-SA--193743

Journal Information:: Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 9 Vol. 124; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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