Abstract

We report here the theoretical explanation of the experimentally observed electric field screening and crossing point shift effects in glycine-isopropanol-coated single-walled carbon nanotubes. The external electric field screening effect was illustrated in the framework of the analytical solution of the Laplace equation and Langevin–Debye theory. In this approach, we utilized the polarizability tensor of the glycine-isopropanol molecular complex calculated ab initio by the Density Functional Theory. The shift of the crossing point of the original p-type semiconductor curve for nanotube with the final metallic line was explained from ab initio results of the electron charge transfer from nanotube to the coating layer. The results of calculations agreed with the experimental data very well and an encouraging relationship was found.

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