石墨烯
铜
电导率
材料科学
费米能级
电阻率和电导率
密度泛函理论
热传导
态密度
复合材料
电子结构
凝聚态物理
纳米技术
电子
冶金
化学
计算化学
物理
物理化学
量子力学
作者
K. N. Subedi,K. Nepal,C. Ugwumadu,K. Kappagantula,D. A. Drabold
标识
DOI:10.48550/arxiv.2211.16625
摘要
We investigate the electronic transport properties of copper-graphene composites using a density-functional framework. Conduction in composites by varying the interface distance of a copper/graphene/copper (Cu/G/Cu) interface models was studied. The electronic density of states reveals increasing contributions from both copper and carbon atoms near the Fermi level with decreasing Cu-G interfacial distance. Electronic conductivity of the models computed using the Kubo-Greenwood formula showed the conductivity increases with decreasing Cu-G distance. We also find that the conductivity saturates below a threshold Cu-G 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 copper-graphene distances, thereby enhancing the conductivity.
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