Effect of polar side chains on neutral and p-doped polythiophene

Abstract

We investigate in detail the optical, electrochemical, structural and electrical properties of polythiophenes with increasing content of polar side chains.

Side‐Chain Engineering for High‐Performance Conjugated Polymer Batteries

“…Similar results have been observed in other studies of conjugated polymers with polar side chains. [35,[48][49][50] This is also consistent with improved electronic conductivity and improved rate performance of PNDI-T2EG polymer (see Figure 2b,d). The redox mechanism for PNDI-T2 has been studied extensively and involves a reversible two-step electrochemical reaction with the aromatic imide group.…”

“…[33] While the introduction of polar side chains can enhance performance for these applications, other studies have also pointed to trade-offs between electron mobility and capacitance with increased polar side-chain content [34] and disruption of favorable structural and electronic properties in some cases. [35] In this work, we synthesized a naphthalene dicarboximide (NDI)-based polymer with ethylene glycol (EG) side chains (PNDI-T2EG), as shown in Figure 1 (see Scheme S1 and Figures S1-S12 in the Supporting Information for synthetic details). As a comparison, a polymer with 2-octyldodecyl side chains (PNDI-T2) was also synthesized.…”

“…[ 33 ] While the introduction of polar side chains can enhance performance for these applications, other studies have also pointed to trade‐offs between electron mobility and capacitance with increased polar side‐chain content [ 34 ] and disruption of favorable structural and electronic properties in some cases. [ 35 ]…”

Unraveling the effect of defects, domain size, and chemical doping on photophysics and charge transport in covalent organic frameworks

“…In particular, defects arising from non-crystalline regions can trap the polarons, resulting in localization and subsequently yielding lower values of hole mobility and conductivity. The effects of domain size, 34,57 electronic defects, [58][59][60] crystallinity, 61,62 molecular weight, 39 side chain engineering, 63 and chemical dopants 36,41,64,65 have been previously discussed in the context of conjugated polymers. In all these cases, mid-IR polaron signatures have provided fundamental insights into the local structure-property relationships and have successfully established the key correlations between polaron coherence and hole mobility.…”

Unraveling the Effect of Defects, Domain Size, and Chemical Doping on Photophysics and Charge Transport in Covalent Organic Frameworks

“…The two dimensional Holstein model has already been successful in rationalizing various experiments carried out on semiconducting polymers. 27,30,35,[57][58][59]61 Using our model we can not only obtain quantitative agreement with experiments but also extract detailed information about the polaron coherence lengths, i.e, how far the hole delocalizes along the x and y directions in the 2D COF plane and through the columns (z directions). The full theoretical framework, including a description of the multiparticle basis set, expressions for the IR absorption spectrum, disorder, coherence functions, Coulomb binding, and the fundamental nature and origin of the IR peaks are discussed in detail in the Supporting Information.…”