Theoretical study on the charge transport in single crystals of TCNQ, F2-TCNQ and F4-TCNQ

2018 ◽  
Vol 20 (5) ◽  
pp. 3784-3794 ◽  
Author(s):  
Li-Fei Ji ◽  
Jian-Xun Fan ◽  
Shou-Feng Zhang ◽  
Ai-Min Ren
Keyword(s):  
Electron Transport ◽  
Charge Transport ◽  
Transport Properties ◽  
Single Crystals ◽  
Theoretical Study ◽  
Close Packing ◽  
Tunneling Effect ◽  
The Poor ◽  
Thermal Disorder ◽  
Nuclear Tunneling

The outstanding electron transport behavior of F2-TCNQ arises from its 3D close-packing motif and the nuclear tunneling effect; meanwhile, the poor transport properties of TCNQ and F4-TCNQ stem from their poor packing and strong thermal disorder.

Theoretical study of synergetic effect between halogenation and pyrazine substitutions on transport properties of silylethynylated pentacene

2019 ◽  
Vol 43 (8) ◽  
pp. 3583-3600 ◽  
Author(s):  
Jian-Xun Fan ◽  
Li-Fei Ji ◽  
Ning-Xi Zhang ◽  
Pan-Pan Lin ◽  
Gui-Ya Qin ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Charge Transport ◽  
Transport Properties ◽  
Quantum Tunneling ◽  
Theoretical Study ◽  
Kinetic Monte Carlo ◽  
Synergetic Effect ◽  
Tunneling Effect ◽  
Disorder Effects

Combining quantum-tunneling-effect-enabled hopping theory with kinetic Monte Carlo simulation and dynamic disorder effects, the charge transport properties of a series of N-hetero 6,13-bis(triisopropylsilylethynyl)pentacene (TIPS-PEN) derivatives with halogen substitutions were studied.

scholarly journals Investigation of charge transport properties of [1]Benzothieno[3,2-b][1]-benzothiophene single-crystals in field-effect transistor configuration

2020 ◽  
Vol 78 ◽  
pp. 105605 ◽  
Author(s):  
Xiao Liu ◽  
Xiaolu Su ◽  
Clément Livache ◽  
Lise-Marie Chamoreau ◽  
Sébastien Sanaur ◽  
...  
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Single Crystals ◽  
Field Effect ◽  
Field Effect Transistor ◽  
Effect Transistor

A theoretical study on a series of polycyclic conjugated hydrocarbons—dinaphthobenzo[1,2:4,5]dicyclobutadienes with tunable charge transport properties by controlling [N]phenylenes and (anti)aromaticity

2019 ◽  
Vol 7 (22) ◽  
pp. 6721-6727
Author(s):  
Hang Yin ◽  
Daoyuan Zheng ◽  
Yan Qiao ◽  
Xiaofang Chen
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Theoretical Study ◽  
Energy Gap ◽  
Conjugated Hydrocarbons ◽  
Polycyclic Conjugated Hydrocarbons

A multi-dimensional relationship founded on the targeted [N] number, the energy gap (Eg) and the aromatic degree was constructed for predicting cyclobutadienoid-containing dinaphthobenzo[1,2:4,5]dicyclobutadienes (DNBDCs) with better charge transport properties.

Ambipolar charge-transport properties in 4,10-dihalogenated anthanthrone crystals: a theoretical study

2015 ◽  
Vol 3 (9) ◽  
pp. 1913-1921 ◽  
Author(s):  
Zeyi Tu ◽  
Xuri Huang ◽  
Yuanping Yi
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Theoretical Study

Good ambipolar charge-transport characteristics have been revealed for the halogenated anthanthrone crystals by DFT and MD calculations.

What could be the Highest Hopping Mobility in Organic Thin-Film Transistors?

MRS Advances ◽  
2016 ◽  
Vol 1 (38) ◽  
pp. 2659-2664
Author(s):  
Varsha Rani ◽  
Akanksha Sharma ◽  
Subhasis Ghosh
Keyword(s):  
Thin Film ◽  
Charge Transport ◽  
Transport Properties ◽  
Thin Film Transistors ◽  
Weak Coupling ◽  
Theoretical Study ◽  
Schottky Diodes ◽  
Organic Thin Film Transistors ◽  
Electronic Coupling ◽  
Organic Thin Film

ABSTRACTCharge transport properties of pentacene have been investigated by a joint experimental and theoretical study. The growth of pentacene on the substrates shows mainly two different polymorphic phases, a bulk phase and a thin-film phase. The thin-film phase is crucial for the charge transport in two-terminal and three-terminal devices such as organic Schottky diodes and organic thin film transistors, respectively. Experimentally, mobility in two-terminal devices is less by five orders of magnitude than that in three-terminal devices. We show here that this difference can be explained on the basis of strong electronic coupling between molecular dimers located in the ab-plane and relatively weak coupling between the planes (along the c-axis).

scholarly journals High pressure growth and electron transport properties of superconducting SmFeAsO1−xHx single crystals

2017 ◽  
Vol 5 (3) ◽  
pp. 357-363 ◽  
Author(s):  
Soshi Iimura ◽  
Takashi Muramoto ◽  
Satoru Fujitsu ◽  
Satoru Matsuishi ◽  
Hideo Hosono
Keyword(s):  
High Pressure ◽  
Electron Transport ◽  
Transport Properties ◽  
Single Crystals ◽  
Electron Transport Properties

A theoretical study on the charge transport properties of DNA

2017 ◽  
Vol 42 ◽  
pp. 244-255 ◽  
Author(s):  
Jingyu Qian ◽  
Leijing Liu ◽  
Bin Xu ◽  
Wenjing Tian
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Theoretical Study
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