Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties

2013 ◽  
Vol 25 (11) ◽  
pp. 2254-2263 ◽  
Author(s):  
Kathryn A. McGarry ◽  
Wei Xie ◽  
Christopher Sutton ◽  
Chad Risko ◽  
Yanfei Wu ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Single Crystal ◽  
Charge Transport ◽  
Transport Properties ◽  
Organic Semiconductors

scholarly journals Charge mobility calculation of organic semiconductors without use of experimental single-crystal data

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Hiroyuki Ishii ◽  
Shigeaki Obata ◽  
Naoyuki Niitsu ◽  
Shun Watanabe ◽  
Hitoshi Goto ◽  
...  
Keyword(s):  
Single Crystal ◽  
Charge Transport ◽  
Transport Properties ◽  
Organic Semiconductors ◽  
Material Properties ◽  
High Performance ◽  
Early Stage ◽  
Practical Method ◽  
Crystal Data ◽  
Charge Mobility

Abstract Prediction of material properties of newly designed molecules is a long-term goal in organic electronics. In general, it is a difficult problem, because the material properties are dominated by the unknown packing structure. We present a practical method to obtain charge transport properties of organic single crystals, without use of experimental single-crystal data. As a demonstration, we employ the promising molecule C10–DNBDT. We succeeded in quantitative evaluation of charge mobility of the single crystal using our quantum wave-packet dynamical simulation method. Here, the single-crystal data is computationally obtained by searching possible packing structures from structural formula of the molecule. We increase accuracy in identifying the actual crystal structure from suggested ones by using not only crystal energy but also similarity between calculated and experimental powder X-ray diffraction patterns. The proposed methodology can be a theoretical design technique for efficiently developing new high-performance organic semiconductors, since it can estimate the charge transport properties at early stage in the process of material development.

Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl

CrystEngComm ◽  
2014 ◽  
Vol 16 (33) ◽  
pp. 7621-7625 ◽  
Author(s):  
Cody J. Gleason ◽  
Jordan M. Cox ◽  
Ian M. Walton ◽  
Jason B. Benedict
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Electronic Material ◽  
Single Crystal ◽  
Charge Transport ◽  
Luminescent Properties ◽  
Electronic Structure Calculations ◽  
Electronic Charge ◽  
Single Crystal Structures ◽  
Structure Calculations

Single crystal structures, luminescent properties and electronic structure calculations of three polymorphs of the opto-electronic charge transport material 4,4′-bis(9-carbazolyl)biphenyl.

scholarly journals Electronic Structure and Charge Transport Properties of a Series of 3,6-(Diphenyl)-s-tetrazine Derivatives: Are They Suitable Candidates for Molecular Electronics?

2014 ◽  
Vol 118 (46) ◽  
pp. 26427-26439 ◽  
Author(s):  
Mónica Moral ◽  
Gregorio García ◽  
Andrés Garzón ◽  
José M. Granadino-Roldán ◽  
Mark A. Fox ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Charge Transport ◽  
Transport Properties ◽  
Molecular Electronics

Simultaneous enhancement of charge transport and exciton diffusion in single-crystal-like organic semiconductors

2012 ◽  
Vol 100 (10) ◽  
pp. 103305 ◽  
Author(s):  
Jianbing Yang ◽  
Feng Zhu ◽  
Bo Yu ◽  
Haibo Wang ◽  
Donghang Yan
Keyword(s):  
Single Crystal ◽  
Charge Transport ◽  
Organic Semiconductors ◽  
Exciton Diffusion

Electronic structure and charge transport properties of amorphous Ta2O5 films

2008 ◽  
Vol 354 (26) ◽  
pp. 3025-3033 ◽  
Author(s):  
V.A. Shvets ◽  
V.Sh. Aliev ◽  
D.V. Gritsenko ◽  
S.S. Shaimeev ◽  
E.V. Fedosenko ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Charge Transport ◽  
Transport Properties

Effect of thiophene/furan substitution on organic field effect transistor properties of arylthiadiazole based organic semiconductors

2020 ◽  
Vol 8 (48) ◽  
pp. 17297-17306
Author(s):  
Anna Pachariyangkun ◽  
Masayuki Suda ◽  
Sarinya Hadsadee ◽  
Siriporn Jungsuttiwong ◽  
Phattananawee Nalaoh ◽  
...  
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Organic Semiconductors ◽  
Field Effect ◽  
Field Effect Transistor ◽  
Organic Field Effect Transistor ◽  
Channel Layer ◽  
Effect Transistor

This study determines that furan could display comparable charge transport properties to its thiophene analogue. The OFET device employing furan-substituted benzothiadiazole as the channel layer showed a mobility (μmax) of 0.0122 cm2 V−1 s−1.

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