Our calculated values for the structural parameters of polytellurophene are listed in Table 1 as well

The buckling is found to be 0.17, slightly increased as compared to polythiophene (0.10) and polyselenophene (0.12). The C C bond lengths shrink to 1.35 1.38 as compared to the C C bond lengths in polythiophene and polyselenophene, while the C Te bond length grows to be 2.08.

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