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Copper-Carbon Nanotube Composites

P. D. Bristowe, K. Koziol and K. Milowska

Sponsors: European Commission (FP7)

  • First principles modelling of the microscopic properties of copper/carbon nanotube composites
  • Electronic, mechanical and transport properties of the copper/carbon interface
  • Collaboration involving 14 partners from academia, research institutes and industry

Research Highlight:

A computational study of the quantum transport properties of a Cu-CNT composite

Mahdi Ghorbani-Asl, Paul D. Bristowe and Krzysztof Koziol, Phys. Chem. Chem. Phys. 17, 18273-18277  (2015)

The quantum transport properties of a Cu-CNT composite are studied using a non-equilibrium Green’s function approach combined with the self-consistent-charge density-functional tight-binding method. The results show that the electrical conductance of the composite depends strongly on CNT density and alignment but more weakly on chirality. Alignment with the applied bias is preferred and the conductance of the composite increases as its mass density increases. 

 

nanotube_composites.jpg
Electron difference density maps through cross-sections of the scattering region (upper) and the average electrostatic difference potential along the transport direction (lower) for the three (6,6) Cu-CNT composite orientations considered. The peak positions are indicated with red arrows to highlight the good correspondence between the upper and lower panel.