Electronic Conductivity in Metal-Graphene Composites: The Role of Disordered Carbon Structures, Defects, and Impurities

TL;DR

This study investigates how disordered carbon structures, defects, and impurities influence electronic conductivity in aluminum-graphene composites using ab initio simulations, focusing on interfacial dynamics and impurity effects.

Contribution

It introduces a detailed ab initio analysis of the electronic transport in aluminum-graphene composites, emphasizing the role of nitrogen impurities and amorphous graphene interfaces.

Findings

Nitrogen impurities significantly alter electronic conduction.

Disordered carbon structures impact interfacial conductivity.

Projection methods reveal conduction mechanisms at the atomic level.

Abstract

This paper explores the transport properties of aluminum-carbon composite material via ab initio methods. Interfacial and electronic dynamics of the aluminum-graphene interface structure were investigated using models of amorphous graphene added to an aluminum matrix. We examine the impact on electronic conduction caused by the presence of nitrogen impurities within the interfacial amorphous graphene layer. We elucidate the conduction mechanisms by using a projection of the conductivity into space.