scholarly journals Structural insights into Lewis acid and F4TCNQ doped conjugated polymers by solid-state magnetic resonance spectroscopy

2022 ◽  
Author(s):  
Alana Dixon ◽  
Herve Vezin ◽  
Thuc-Quyen Nguyen ◽  
G. N. Manjunatha Reddy
Keyword(s):  
Solid State ◽  
Magnetic Resonance ◽  
Conjugated Polymers ◽  
Organic Semiconductors ◽  
Carrier Mobility ◽  
Molecular Level ◽  
Charge Carrier Mobility ◽  
Resonance Spectroscopy ◽  
Molecular Doping ◽  
Structural Insights

Molecular doping strategies facilitate orders of magnitudes enhancements in the charge carrier mobility of organic semiconductors (OSCs). Understanding the mechanisms of different doping strategies for OSCs and molecular-level constraints on...

The Influence of Nitrogen Position on Charge Carrier Mobility in Enantiopure Aza[6]helicene Crystals

2018 ◽  
Author(s):  
Francesco Salerno ◽  
Beth Rice ◽  
Julia Schmidt ◽  
Matthew J. Fuchter ◽  
Jenny Nelson ◽  
...  
Keyword(s):  
Solid State ◽  
Charge Carrier ◽  
Carrier Mobility ◽  
Chemical Structure ◽  
Crystal Packing ◽  
Charge Carrier Mobility ◽  
Individual Factor ◽  
Charge Mobility ◽  
Order Of Magnitude ◽  
Small Change

<p>The properties of an organic semiconductor are dependent on both the chemical structure of the molecule involved, and how it is arranged in the solid-state. It is challenging to extract the influence of each individual factor, as small changes in the molecular structure often dramatically change the crystal packing and hence solid-state structure. Here, we use calculations to explore the influence of the nitrogen position on the charge mobility of a chiral organic molecule when the crystal packing is kept constant. The transfer integrals for a series of enantiopure aza[6]helicene crystals sharing the same packing were analysed in order to identify the best supramolecular motifs to promote charge carrier mobility. The regioisomers considered differ only in the positioning of the nitrogen atom in the aromatic scaffold. The simulations showed that even this small change in the chemical structure has a strong effect on the charge transport in the crystal, leading to differences in charge mobility of up to one order of magnitude. Some aza[6]helicene isomers that were packed interlocked with each other showed high HOMO-HOMO integrals (up to 70 meV), whilst molecules arranged with translational symmetry generally afforded the highest LUMO-LUMO integrals (40 - 70 meV). As many of the results are not intuitively obvious, a computational approach provides additional insight into the design of new semiconducting organic materials.</p>

Charge mobility in discotic liquid crystalline porphyrins and phthalocyanines measured by PR-TRMC

2003 ◽  
Vol 07 (05) ◽  
pp. 342-350 ◽  
Author(s):  
John M. Warman ◽  
Jessica E. Kroeze ◽  
Pieter G. Schouten ◽  
Anick M. van de Craats
Keyword(s):  
Conjugated Polymers ◽  
Carrier Mobility ◽  
Liquid Crystalline ◽  
Alkyl Chain ◽  
Charge Carrier Mobility ◽  
Chain Structure ◽  
Coupling Element ◽  
Time Resolved ◽  
Liquid Crystalline Phases ◽  
Conductive Properties

The pulse-radiolysis time-resolved microwave conductivity technique, “PR-TRMC”, has been used to determine the charge carrier mobility within columnar stacks of mesomorphic discotic porphyrins and phthalocyanines. The influences of temperature, morphology and variations in the primary molecular structure are demonstrated and discussed. Both the mesomorphic and conductive properties are shown to be dramatically influenced by subtle changes in the peripheral alkyl chain structure or the core-to-chain coupling element. Mobilities close to 1 cm2.V−1.s−1 are found in crystalline solids, and well in excess of 0.1 cm2.V−1.s−1 in columnar, liquid crystalline phases. These values which are even larger than those determined by PR-TRMC for conjugated polymers and similar to values found for electrons and holes in organic single crystals.

Sign in / Sign up

Export Citation Format

Share Document