• 文献标题:   Electronic transport in copper-graphene composites
  • 文献类型:   Article
  • 作  者:   SUBEDI KN, NEPAL K, UGWUMADU C, KAPPAGANTULA K, DRABOLD DA
  • 作者关键词:  
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951 EI 1077-3118
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1063/5.0137086
  • 出版年:   2023

▎ 摘  要

We investigate electronic transport properties of copper-graphene (Cu-G) composites using a density-functional theory (DFT) framework. Conduction in composites is studied by varying the interfacial distance of copper/graphene/copper (Cu/G/Cu) interface models. Electronic conductivity of the models computed using the Kubo-Greenwood formula shows that the conductivity increases with decreasing Cu-G distance and saturates below a threshold Cu-G distance. The DFT-based Bader charge analysis indicates increasing charge transfer between Cu atoms at the interfacial layers and the graphene with decreasing Cu-G distance. The electronic density of states reveals increasing contributions from both copper and carbon atoms near the Fermi level with decreasing Cu-G interfacial distance. By computing the space-projected conductivity of the Cu/G/Cu models, we show that the graphene forms a bridge to the electronic conduction at small Cu-G distances, thereby enhancing the conductivity.