Electronic and optical properties of pyrrole and thiophene oligomers: A density functional theory study

The conductive mechanism of pyrrole (Py) and thiophene (Th) oligomers is investigated in the framework of density functional theory. Geometric constructions and electronic structures of neutral n‐Py/n‐Th and oxidized n‐Pym+/n‐Thm+ oligomers (6 ≤ n ≤ 48, 2 ≤ m ≤ 18) are reported as a function of olig...

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