Anisotropy of conductivity for high oriented undoped and iodine-doped trans-polyacetylenes

Abstract

The two-dimensional band structures of the highly oriented undoped and iodine-doped trans-polyacetylenes were calculated by the semiempirical EHMO/CO quantum chem. method and the electronic anisotropies were discussed. The ratio (r) between the conductivity in the direction parallel to the mol. chain and the conductivity in the direction perpendicular to the mol. chain was dependent on the valence band width and the conduction band width in the 2 directions. The value of r decreased with iodine doping due to the increased interchain coupling. The calculation results agreed with the experimental observations.

Key words: DOPE, IODINE, BAND STRUCTURES, ELECTRICAL CONDUCTIVITY, POLYACETYLENE, CONDUCTING POLYMER, HUCKEL MOLECULAR ORBITAL

CLC Number:

O631.2
O641

Cite this article

WANG RONGSHUN;CHEN ERYUE;HUANG ZONGHAO. Anisotropy of conductivity for high oriented undoped and iodine-doped trans-polyacetylenes[J]. Acta Chimica Sinica, 1992, 50(12): 1145-1149.

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