Spectroscopic investigations of copolymers incorporating various thiophene and phenylene monomers

Grafting of oligo-N-vinyl carbazole on single walled carbon nanotubes

“…This method is based on density functional theory (DFT) for uniform electron gas and is used with the basis set such as 3-21G Ã [20]. This basis is applied to other systems based polymers [21][22][23]. For the resulting composite, it has been reported that the semi-empirical Austin Model (AM1) method is an effective tool for qualitative study of functionalized nanotubes [24].…”

Syntheses of electroactive layers based on functionalized anthracene for electrochromic applications

“…It is known that the ortho position substitutions (Th, EDOT) of the phenyl ring modify the degree of conjugation (extended -* bonding system) [9]. Palladium catalyzed cross-coupling reaction of organometallic species with arylhalides (the Stille coupling) provides this extension in organic compounds.…”

About Grafting of Single-Walled Carbon Nanotubes on the Oligo-N-Vinyl Carbazole and Copolymer Involving N-Vinylcarbazole and Hexylthiophene

“…This method is based on density functional theory (DFT) for uniform electron gas and is used with the basis set such as 3-21G* (Pietro et al, 1982). This basis is applied to other systems based polymers (Ayachi et al, 2006;DiCesare et al, 1998;Pickholz and Santos, 1999). For the resulting composite, it has been reported that the semi-empirical Austin Model (AM1) method is an effective tool for qualitative study of functionalized nanotubes (Wongchoosuk et al, 2009).…”

“…In general, the vibrationnal and electronic properties of polymers can be reproduced theoretically using a typical modeling structure of maximum seven to eight units (Ayachi et al, 2006;Wang et al, 2004). For OVK, our calculations are limited to four VK units ( figure 12-a).…”