A Combined Experimental and Theoretical Study of Optoelectronic and Structural Properties of a New Copolymer Based on Polyvinylcarbazole (PVK) and Poly (3-hexylthiophene) (PHT)

Journal of Applied Chemical Research

مقاله 8، دوره 6، شماره 1، فروردین 2012، صفحه 64-86   

نوع مقاله: Research Paper

نویسندگان

Z. El Malki؛ L. Bejjit؛ M. Haddad؛ M. Hamidi؛ M. Bouachrine^*

چکیده

In this paper we report on a combination of experimental and theoretical study of a new copolymer based on carbazole and methylthiophene (Cbz-Mth), in their neutral and oxidized states. We discuss the influence of chain length on conformational and optoelectronic properties with the DFT method. Conformational analysis shows that there are no big changes in the structural parameters of neutral oligomers. In the doped form, the oligomer structures become nearly planar and show a quinoidal character. The results obtained for (Cbz-Mth)3 from the neutral state, are close to experimental values.

کلیدواژه‌ها

(Cbz-Mth) oligomers؛ DFT؛ Conformational analysis؛ Optoelectronic properties؛ Polaronic and bipolaronic forms