Physical origin of enhanced electrical conduction in aluminum-graphene composites
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arXiv
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| Main Authors: | , , , , |
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| Format: | Preprint |
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2024
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| _version_ | 1866907791184101376 |
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| author | Nepal, K. Ugwumadu, C. Subedi, K. N. Kappagantula, K. Drabold, D. A. |
| author_facet | Nepal, K. Ugwumadu, C. Subedi, K. N. Kappagantula, K. Drabold, D. A. |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2401_02348 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Physical origin of enhanced electrical conduction in aluminum-graphene composites Nepal, K. Ugwumadu, C. Subedi, K. N. Kappagantula, K. Drabold, D. A. Materials Science 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. |
| title | Physical origin of enhanced electrical conduction in aluminum-graphene composites |
| topic | Materials Science |
| url | https://arxiv.org/abs/2401.02348 |