scholarly journals Benzotrithiophene Copolymers: Influence of Molecular Packing and Energy Levels on Charge Carrier Mobility

2014 ◽  
Vol 47 (9) ◽  
pp. 2883-2890 ◽  
Author(s):  
Bob C. Schroeder ◽  
Stephan Rossbauer ◽  
R. Joseph Kline ◽  
Laure Biniek ◽  
Scott E. Watkins ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Carrier Mobility ◽  
Energy Levels ◽  
Charge Carrier Mobility ◽  
Molecular Packing

scholarly journals A computational exploration of the crystal energy and charge-carrier mobility landscapes of the chiral [6]helicene molecule

Nanoscale ◽  
2018 ◽  
Vol 10 (4) ◽  
pp. 1865-1876 ◽  
Author(s):  
Beth Rice ◽  
Luc M. LeBlanc ◽  
Alberto Otero-de-la-Roza ◽  
Matthew J. Fuchter ◽  
Erin R. Johnson ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Molecular Packing ◽  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Computational Exploration

The structure–property relationship between molecular packing and charge-carrier mobility is explored for the chiral [6]helicene molecule.

Increased charge carrier mobility and molecular packing of a solution sheared diketopyrrolopyrrole-based donor–acceptor copolymer by alkyl side chain modification

2019 ◽  
Vol 7 (12) ◽  
pp. 3665-3674 ◽  
Author(s):  
Mike Hambsch ◽  
Tim Erdmann ◽  
Annabel R. Chew ◽  
Sigrid Bernstorff ◽  
Alberto Salleo ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Molecular Packing ◽  
Chain Extension ◽  
Side Chain ◽  
Alkyl Side Chain ◽  
Donor Acceptor

Side chain extension leads to improved charge carrier mobility in diketopyrrolopyrrole-based donor–acceptor copolymers.

Probing Molecular Packing at Engineered Interfaces in Organic Field Effect Transistor and Its Correlation with Charge Carrier Mobility

2015 ◽  
Vol 7 (19) ◽  
pp. 10169-10177 ◽  
Author(s):  
Priya Maheshwari ◽  
Saurabh Mukherjee ◽  
Debarati Bhattacharya ◽  
Shashwati Sen ◽  
Raj Bahadur Tokas ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Field Effect ◽  
Carrier Mobility ◽  
Field Effect Transistor ◽  
Charge Carrier Mobility ◽  
Molecular Packing ◽  
Organic Field Effect Transistor ◽  
Effect Transistor

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>

Assembly effect on the charge carrier mobility in quaterthiophene-based n/p-materials

2019 ◽  
Vol 7 (22) ◽  
pp. 6649-6655
Author(s):  
A. López-Andarias ◽  
C. Atienza ◽  
J. López-Andarias ◽  
W. Matsuda ◽  
T. Sakurai ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Self Assembly ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Assembly Process ◽  
Charge Mobility

Effect of the peptide-based quaterthiophene self-assembly process on the charge mobility properties of the n/p-materials formed is studied.

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