Charge carrier mobility in conjugated organic polymers: simulation of an electron mobility in a carbazole-benzothiadiazole-based polymer

2011 ◽  
Author(s):  
Yaping Li ◽  
Jolanta B. Lagowski
Keyword(s):  
Charge Carrier ◽  
Electron Mobility ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Organic Polymers ◽  
Conjugated Organic Polymers

scholarly journals Charge carrier mobility and electronic properties of Al(Op)3: impact of excimer formation

2015 ◽  
Vol 6 ◽  
pp. 1107-1115 ◽  
Author(s):  
Andrea Magri ◽  
Pascal Friederich ◽  
Bernhard Schäfer ◽  
Valeria Fattori ◽  
Xiangnan Sun ◽  
...  
Keyword(s):  
Thin Film ◽  
Charge Carrier ◽  
Transport Properties ◽  
Electron Mobility ◽  
Carrier Mobility ◽  
Hole Mobility ◽  
Charge Carrier Mobility ◽  
The Other ◽  
Theoretical Simulation ◽  
Excimer Formation

We have studied the electronic properties and the charge carrier mobility of the organic semiconductor tris(1-oxo-1H-phenalen-9-olate)aluminium(III) (Al(Op)3) both experimentally and theoretically. We experimentally estimated the HOMO and LUMO energy levels to be −5.93 and −3.26 eV, respectively, which were close to the corresponding calculated values. Al(Op)3 was successfully evaporated onto quartz substrates and was clearly identified in the absorption spectra of both the solution and the thin film. A structured steady state fluorescence emission was detected in solution, whereas a broad, red-shifted emission was observed in the thin film. This indicates the formation of excimers in the solid state, which is crucial for the transport properties. The incorporation of Al(Op)3 into organic thin film transistors (TFTs) was performed in order to measure the charge carrier mobility. The experimental setup detected no electron mobility, while a hole mobility between 0.6 × 10−6 and 2.1 × 10−6 cm2·V−1·s−1 was measured. Theoretical simulations, on the other hand, predicted an electron mobility of 9.5 × 10−6 cm2·V−1·s−1 and a hole mobility of 1.4 × 10−4 cm2·V−1·s−1. The theoretical simulation for the hole mobility predicted an approximately one order of magnitude higher hole mobility than was observed in the experiment, which is considered to be in good agreement. The result for the electron mobility was, on the other hand, unexpected, as both the calculated electron mobility and chemical common sense (based on the capability of extended aromatic structures to efficiently accept and delocalize additional electrons) suggest more robust electron charge transport properties. This discrepancy is explained by the excimer formation, whose inclusion in the multiscale simulation workflow is expected to bring the theoretical simulation and experiment into agreement.

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.

Sign in / Sign up

Export Citation Format

Share Document