scholarly journals De Novo Calculation of the Charge Carrier Mobility in Amorphous Small Molecule Organic Semiconductors

2021 ◽  
Vol 9 ◽  
Author(s):  
Simon Kaiser ◽  
Tobias Neumann ◽  
Franz Symalla ◽  
Tobias Schlöder ◽  
Artem Fediai ◽  
...  
Keyword(s):  
Thin Films ◽  
Charge Carrier ◽  
Charge Transport ◽  
Organic Semiconductors ◽  
Carrier Mobility ◽  
De Novo ◽  
Charge Carrier Mobility ◽  
Device Performance ◽  
Zero Field ◽  
Virtual Design

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.

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 ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thin Films ◽  
Charge Carrier ◽  
Organic Semiconductors ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Side Chain ◽  
Processing Window ◽  
Conjugated Organic Semiconductors ◽  
Structure And Microstructure

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.

scholarly journals Elucidating charge transport mechanisms in cellulose-stabilized graphene inks

2020 ◽  
Vol 8 (43) ◽  
pp. 15086-15091
Author(s):  
Ana C. M. de Moraes ◽  
Jan Obrzut ◽  
Vinod K. Sangwan ◽  
Julia R. Downing ◽  
Lindsay E. Chaney ◽  
...  
Keyword(s):  
Thin Films ◽  
Charge Carrier ◽  
Charge Transport ◽  
Ethyl Cellulose ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Transport Mechanisms ◽  
High Charge ◽  
Polymer Stabilizer ◽  
High Charge Carrier Mobility

Thin-films derived from solution-processed graphene inks that use ethyl cellulose as a polymer stabilizer show mixed metallic-semiconducting charge transport with high charge carrier mobility.

scholarly journals Charge carrier mobility in thin films of organic semiconductors by the gated van der Pauw method

2017 ◽  
Vol 8 (1) ◽  
Author(s):  
Cedric Rolin ◽  
Enpu Kang ◽  
Jeong-Hwan Lee ◽  
Gustaaf Borghs ◽  
Paul Heremans ◽  
...  
Keyword(s):  
Thin Films ◽  
Charge Carrier ◽  
Organic Semiconductors ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Van Der Pauw ◽  
Van Der Pauw Method

scholarly journals Effects of Solvent Vapor Annealing on Morphology and Charge Transport of Poly(3-hexylthiophene) (P3HT) Films Incorporated with Preformed P3HT Nanowires

Polymers ◽  
2020 ◽  
Vol 12 (5) ◽  
pp. 1188
Author(s):  
Mingu Jang ◽  
Yang-Il Huh ◽  
Mincheol Chang
Keyword(s):  
Thin Films ◽  
Charge Transport ◽  
Carrier Mobility ◽  
Morphological Changes ◽  
Charge Carrier Mobility ◽  
Solvent Vapor ◽  
Molecular Ordering ◽  
Vapor Annealing ◽  
Solvent Vapor Annealing ◽  
Influence Of Solvent

We systematically studied the influence of solvent vapor annealing on the molecular ordering, morphologies, and charge transport properties of poly(3-hexylthiophene) (P3HT) thin films embedded with preformed crystalline P3HT nanowires (NWs). Solvent vapor annealing (SVA) with chloroform (CF) was found to profoundly impact on the structural and morphological changes, and thus on the charge transport characteristics, of the P3HT-NW-embedded P3HT films. With increased annealing time, the density of crystalline P3HT NWs was increased within the resultant films, and also intra- and intermolecular interactions of the corresponding films were significantly improved. As a result, the P3HT-NW-embedded P3HT films annealed with CF vapor for 20 min resulted in a maximized charge carrier mobility of ~0.102 cm2 V−1 s−1, which is higher than that of pristine P3HT films by 4.4-fold (μ = ~0.023 cm2 V−1 s−1).

Elucidation of Donor:Acceptor Phase Separation in Nonfullerene Organic Solar Cells and Its Implications on Device Performance and Charge Carrier Mobility

2019 ◽  
Vol 2 (10) ◽  
pp. 7535-7545 ◽  
Author(s):  
Sebastian F. Hoefler ◽  
Georg Haberfehlner ◽  
Thomas Rath ◽  
Andreas Keilbach ◽  
Mathias A. Hobisch ◽  
...  
Keyword(s):  
Solar Cells ◽  
Phase Separation ◽  
Charge Carrier ◽  
Organic Solar Cells ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Device Performance

Temperature-Dependent Ambipolar Charge Carrier Mobility in Large-Crystal Hybrid Halide Perovskite Thin Films

2019 ◽  
Vol 11 (23) ◽  
pp. 20838-20844 ◽  
Author(s):  
Alexander Biewald ◽  
Nadja Giesbrecht ◽  
Thomas Bein ◽  
Pablo Docampo ◽  
Achim Hartschuh ◽  
...  
Keyword(s):  
Thin Films ◽  
Charge Carrier ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Temperature Dependent ◽  
Large Crystal ◽  
Halide Perovskite

New π-conjugated thieno[3,2-b]indole derivatives and charge carrier mobility in their thin films

2019 ◽  
Vol 68 (6) ◽  
pp. 1204-1207 ◽  
Author(s):  
A. E. Alexandrov ◽  
A. R. Tameev ◽  
A. S. Steparuk ◽  
R. A. Irgashev ◽  
G. L. Rusinov
Keyword(s):  
Thin Films ◽  
Charge Carrier ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Indole Derivatives

Effect of Film Morphology on Charge Transport in C60-based Organic Field Effect Transistors

2010 ◽  
Vol 1270 ◽  
Author(s):  
Mujeeb Ullah ◽  
Andrey K. Kadashchuk ◽  
Philipp Stadler ◽  
Alexander Kharchenko ◽  
Almantas Pivrikas ◽  
...  
Keyword(s):  
Grain Size ◽  
Charge Carrier ◽  
Substrate Temperature ◽  
Charge Transport ◽  
Field Effect ◽  
Carrier Mobility ◽  
Field Effect Transistors ◽  
Charge Carrier Mobility ◽  
Film Morphology ◽  
Organic Field Effect Transistors

AbstractThe critical factor that limits the efficiencies of organic electronic devices is the low charge carrier mobility which is attributed to disorder in organic films. In this work we study the effects of active film morphology on the charge transport in Organic Field Effect Transistors (OFETs). We fabricated the OFETs using different substrate temperature to grow different morphologies of C60 films by Hot Wall Epitaxy. Atomic Force Microscopy images and XRD results showed increasing grain size with increasing substrate temperature. An increase in field effect mobility was observed for different OFETs with increasing grain size in C60 films. The temperature dependence of charge carrier mobility in these devices followed the empirical relation named as Meyer-Neldel Rule and showed different activation energies for films with different degree of disorder. A shift in characteristic Meyer-Neldel energy was observed with changing C60 morphology which can be considered as an energetic disorder parameter.

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