2004
DOI: 10.1002/adfm.200305488
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Alkyl Substituent Effects on the Conductivity of Polyaniline

Abstract: The oxidative polymerization of aniline hydrochloride derivatives in water at low temperature is studied without lithium chloride. The resulting polymers have high molecular weight but the conductivity of the acid‐doped films is strongly dependent on the alkyl‐substituted chain at the 2‐positions. The root cause of the alkyl‐substitution effects is thoroughly investigated using density functional theory (DFT) methods (B3LYP using 6–1G(d,p) and 6‐311++G(2d,2p) basis sets). Internal structural changes observed o… Show more

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Cited by 38 publications
(39 citation statements)
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“…With increased packing and order of molecules, charge mobility substantially increases in high molecular weight and less branched PF and poly(3‐hexylthiophene) P3HT [6, 7]. Similar results were observed in the case of polyaniline (PANI) that was synthesized with fewer defect sites and with higher molecular weight, which led to improvements in its mechanical and electrical properties [8–12]. Monkman and coworkers [10] evaluated whether or not low molecular weight and/or non‐para coupling is the reason for the lower conductivity of branched and low molecular weight PANI.…”
Section: Introductionmentioning
confidence: 75%
“…With increased packing and order of molecules, charge mobility substantially increases in high molecular weight and less branched PF and poly(3‐hexylthiophene) P3HT [6, 7]. Similar results were observed in the case of polyaniline (PANI) that was synthesized with fewer defect sites and with higher molecular weight, which led to improvements in its mechanical and electrical properties [8–12]. Monkman and coworkers [10] evaluated whether or not low molecular weight and/or non‐para coupling is the reason for the lower conductivity of branched and low molecular weight PANI.…”
Section: Introductionmentioning
confidence: 75%
“…Self-doped polypyrrole (SPPy) can be achieved by sulfonation of polypyrrole with fluorosulfonic treatment (see Electronic Supplementary Material Fig. S1) [29]. It is further improved by the presence of the -SO 3 − group on the ring of pyrrole due to its strong electron withdrawing properties [30].…”
Section: Introductionmentioning
confidence: 99%
“…[28] Figure 7a shows the TDOS and PDOS together with the COOP for the (MgNH)(LiNH 2 ) 5 cluster. The HOMO-LUMO gap of (MgNH)(LiNH 2 ) 5 is 2.25 eV, which is much narrower than the 3.30 eV gap of (LiNH 2 ) 6 .…”
Section: Mg Substitution Effect On the Bonding Of Lithium Amidementioning
confidence: 99%