Design Rules to Maximize Charge-Carrier Mobility along Conjugated Polymer Chains

2020 ◽  
Vol 11 (16) ◽  
pp. 6519-6525
Author(s):  
Suryoday Prodhan ◽  
Jing Qiu ◽  
Matteo Ricci ◽  
Otello M. Roscioni ◽  
Linjun Wang ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Conjugated Polymer ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Polymer Chains ◽  
Design Rules ◽  
Conjugated Polymer Chains

Effects of conformational symmetry in conjugated side chains on intermolecular packing of conjugated polymers and photovoltaic properties

RSC Advances ◽  
2015 ◽  
Vol 5 (128) ◽  
pp. 106044-106052 ◽  
Author(s):  
Jisoo Shin ◽  
Min Kim ◽  
Jaewon Lee ◽  
Donghun Sin ◽  
Heung Gyu Kim ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Conjugated Polymers ◽  
Carrier Mobility ◽  
Light Harvesting ◽  
Charge Carrier Mobility ◽  
Polymer Chains ◽  
Side Chain ◽  
Side Chains ◽  
Photovoltaic Properties

Introduction of the symmetric conjugated side chain to the conjugated backbone of the polymer was found to improve both the light-harvesting ability of the polymer and its charge carrier mobility, apparently by increasing the packing between the polymer chains.

scholarly journals Remarkable enhancement of charge carrier mobility of conjugated polymer field-effect transistors upon incorporating an ionic additive

2016 ◽  
Vol 2 (5) ◽  
pp. e1600076 ◽  
Author(s):  
Hewei Luo ◽  
Chenmin Yu ◽  
Zitong Liu ◽  
Guanxin Zhang ◽  
Hua Geng ◽  
...  
Keyword(s):  
Thin Films ◽  
Charge Carrier ◽  
Conjugated Polymer ◽  
Carrier Mobility ◽  
Field Effect Transistors ◽  
Theoretical Calculations ◽  
Charge Carrier Mobility ◽  
Side Chains ◽  
Alkyl Side Chains ◽  
Ionic Additive

Organic semiconductors with high charge carrier mobilities are crucial for flexible electronic applications. Apart from designing new conjugated frameworks, different strategies have been explored to increase charge carrier mobilities. We report a new and simple approach to enhancing the charge carrier mobility of DPP-thieno[3,2-b]thiophene–conjugated polymer by incorporating an ionic additive, tetramethylammonium iodide, without extra treatments into the polymer. The resulting thin films exhibit a very high hole mobility, which is higher by a factor of 24 than that of thin films without the ionic additive under the same conditions. On the basis of spectroscopic grazing incidence wide-angle x-ray scattering and atomic force microscopy studies as well as theoretical calculations, the remarkable enhancement of charge mobility upon addition of tetramethylammonium iodide is attributed primarily to an inhibition of the torsion of the alkyl side chains by the presence of the ionic species, facilitating a more ordered lamellar packing of the alkyl side chains and interchain π-π interactions.

scholarly journals Effects of Molecular Structure on Intramolecular Charge Carrier Transport in Dithieno [3,2-b: -d] Pyrrole-Based Conjugated Copolymers

2012 ◽  
Vol 2012 ◽  
pp. 1-7 ◽  
Author(s):  
Yoshihito Honsho ◽  
Akinori Saeki ◽  
Shu Seki
Keyword(s):  
Charge Carrier ◽  
Conjugated Polymer ◽  
Carrier Mobility ◽  
Carrier Transport ◽  
Hole Mobility ◽  
Charge Carrier Mobility ◽  
Charge Carriers ◽  
Coupling Reactions ◽  
Time Resolved ◽  
Yamamoto Coupling

Intramolecular mobility of positive charge carriers in conjugated polymer films based on dithieno [2,3-b: -d] pyrrole (DTP) is studied by time-resolved microwave conductivity (TRMC). A series of DTP homopolymer and copolymers combined with phenyl, 2,-biphenyl, thiophene, 2,-bithiophene, and 9,-dioctylfluorene were synthesized by Suzuki-Miyaura and Yamamoto coupling reactions. Polymers containing DTP unit are reported to show high value of hole mobility measured by FET method, and this type of polymers is expected to have stable HOMO orbitals which are important for hole transportation. Among these copolymers, DTP coupled with 9,-dioctylfluorene copolymer showed the highest charge carrier mobility as high as 1.7 cm2/Vs, demonstrating an excellent electrical property on rigid copolymer backbones.

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>

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