Mixing molecular junctions with carbon nanotube-polymer composites: A strategy to enhance the conductivity and the transparency

초록

The effect of carbon nanotube (CNT) molecular junctions on the percolation behavior of CNTs is studied using computer simulations. A CNT is modeled as a rigid rod comprised of hard spheres. Molecular junctions of CNTs are constructed by joining segments of CNTs. The equilibrated configurations of the mixture of CNTs and molecular junctions are obtained using Monte Carlo simulations and are used to locate the percolating clusters of connected molecules. When CNT molecular junctions are mixed with CNTs, the minimum concentration of CNTs for a finite electric conductivity is significantly decreased; thus increasing both the conductivity and the transparency.

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