The effect of side-chain length on the microstructure and processing window of zone-cast naphthalene-based bispentalenes

2019 ◽  
Vol 7 (43) ◽  
pp. 13493-13501 ◽  
Author(s):  
Katelyn P. Goetz ◽  
Kohei Sekine ◽  
Fabian Paulus ◽  
Yu Zhong ◽  
Daniel Roth ◽  
...  

The solubilizing side-groups of solution-processable π-conjugated organic semiconductors affect both the crystal structure and microstructure of the respective thin films and thus charge-carrier mobility in devices.

2021 ◽  
Vol 9 ◽  
Author(s):  
Simon Kaiser ◽  
Tobias Neumann ◽  
Franz Symalla ◽  
Tobias Schlöder ◽  
Artem Fediai ◽  
...  

Organic semiconductors (OSC) are key components in applications such as organic photovoltaics, organic sensors, transistors and organic light emitting diodes (OLED). OSC devices, especially OLEDs, often consist of multiple layers comprising one or more species of organic molecules. The unique properties of each molecular species and their interaction determine charge transport in OSCs—a key factor for device performance. The small charge carrier mobility of OSCs compared to inorganic semiconductors remains a major limitation of OSC device performance. Virtual design can support experimental R&D towards accelerated R&D of OSC compounds with improved charge transport. Here we benchmark a de novo multiscale workflow to compute the charge carrier mobility solely on the basis of the molecular structure: We generate virtual models of OSC thin films with atomistic resolution, compute the electronic structure of molecules in the thin films using a quantum embedding procedure and simulate charge transport with kinetic Monte-Carlo protocol. We show that for 15 common amorphous OSC the computed zero-field and field-dependent mobility are in good agreement with experimental data, proving this approach to be an effective virtual design tool for OSC materials and devices.


2017 ◽  
Vol 8 (1) ◽  
Author(s):  
Cedric Rolin ◽  
Enpu Kang ◽  
Jeong-Hwan Lee ◽  
Gustaaf Borghs ◽  
Paul Heremans ◽  
...  

2017 ◽  
Vol 5 (39) ◽  
pp. 10313-10319 ◽  
Author(s):  
Zachary A. Lamport ◽  
Ruipeng Li ◽  
Chao Wang ◽  
William Mitchell ◽  
David Sparrowe ◽  
...  

Through processing, spin-cast OTFTs outperform single-crystal OFETs by making accessible the high-mobility direction in the same crystal structure.


Author(s):  
Sébastien Leroy ◽  
Redouane Douali ◽  
Christian Legrand ◽  
Freddy Krasinski ◽  
Florent Blanchard ◽  
...  

2019 ◽  
Vol 11 (23) ◽  
pp. 20838-20844 ◽  
Author(s):  
Alexander Biewald ◽  
Nadja Giesbrecht ◽  
Thomas Bein ◽  
Pablo Docampo ◽  
Achim Hartschuh ◽  
...  

2019 ◽  
Vol 68 (6) ◽  
pp. 1204-1207 ◽  
Author(s):  
A. E. Alexandrov ◽  
A. R. Tameev ◽  
A. S. Steparuk ◽  
R. A. Irgashev ◽  
G. L. Rusinov

2012 ◽  
Vol 101 (22) ◽  
pp. 222102 ◽  
Author(s):  
Ajay Singh ◽  
Arvind Kumar ◽  
Ashwini Kumar ◽  
Soumen Samanta ◽  
Anil K. Debnath ◽  
...  

2011 ◽  
Vol 21 (5) ◽  
pp. 1537-1543 ◽  
Author(s):  
Rajib Mondal ◽  
Sangwon Ko ◽  
Eric Verploegen ◽  
Hector A. Becerril ◽  
Michael F. Toney ◽  
...  

2007 ◽  
Vol 90 (21) ◽  
pp. 213512 ◽  
Author(s):  
Th. B. Singh ◽  
N. S. Sariciftci ◽  
H. Yang ◽  
L. Yang ◽  
B. Plochberger ◽  
...  

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