scholarly journals Effects of electron coupling to intramolecular and intermolecular vibrational modes on the transport properties of single-crystal organic semiconductors

2011 ◽  
Vol 84 (1) ◽  
Author(s):  
C. A. Perroni ◽  
V. Marigliano Ramaglia ◽  
V. Cataudella
Keyword(s):  
Single Crystal ◽  
Transport Properties ◽  
Organic Semiconductors ◽  
Vibrational Modes ◽  
Electron Coupling

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.

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 The Effects of Different Electron-Phonon Couplings on the Spectral and Transport Properties of Small Molecule Single-Crystal Organic Semiconductors

Electronics ◽  
2014 ◽  
Vol 3 (1) ◽  
pp. 165-189 ◽  
Author(s):  
Carmine Perroni ◽  
Fernando Gargiulo ◽  
Alberto Nocera ◽  
Vincenzo Ramaglia ◽  
Vittorio Cataudella
Keyword(s):  
Single Crystal ◽  
Transport Properties ◽  
Organic Semiconductors ◽  
Small Molecule

Electrical transport properties of FeSe single crystal under high magnetic field

2021 ◽  
Vol 64 (8) ◽  
Author(s):  
HongHui Wang ◽  
ZhaoHui Cheng ◽  
MengZhu Shi ◽  
DongHui Ma ◽  
WeiZhuang Zhuo ◽  
...  
Keyword(s):  
Magnetic Field ◽  
Single Crystal ◽  
Transport Properties ◽  
High Magnetic Field ◽  
Electrical Transport ◽  
Electrical Transport Properties

Low-temperature magnetic and transport properties of single-crystal CeCoGe

2008 ◽  
Vol 20 (46) ◽  
pp. 465223 ◽  
Author(s):  
M ElMassalami ◽  
R E Rapp ◽  
J P Sinnecker ◽  
A V Andreev ◽  
J Prokleska
Keyword(s):  
Low Temperature ◽  
Single Crystal ◽  
Transport Properties

Magnetic and transport properties of Gd3Y4Pd3 single crystal

2010 ◽  
Vol 492 (1-2) ◽  
pp. 13-18 ◽  
Author(s):  
M. Oboz ◽  
E. Talik ◽  
J. Kusz ◽  
W. Hofmeister
Keyword(s):  
Single Crystal ◽  
Transport Properties

scholarly journals Photoelectrochemical manifestation of intrinsic photoelectron transport properties of vertically aligned {001} faceted single crystal TiO2 nanosheet films

RSC Advances ◽  
2015 ◽  
Vol 5 (68) ◽  
pp. 55438-55444 ◽  
Author(s):  
Yang Lu ◽  
Guozhong Wang ◽  
Haimin Zhang ◽  
Yunxia Zhang ◽  
Shenghong Kang ◽  
...  
Keyword(s):  
Single Crystal ◽  
Transport Properties ◽  
Water Oxidation ◽  
Nanosheet Array ◽  
Vertically Aligned

{001} faceted anatase TiO2 nanosheet array films after calcination exhibited high photoelectrocatalytic activity toward water oxidation owing to superiorly intrinsic photoelectron transport properties of {001} faceted single crystal nanosheets.

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