Revealing the mechanism of contrasting charge transport properties for phenyl and thienyl substituent organic semiconductors

2019 ◽  
Vol 21 (8) ◽  
pp. 4641-4649 ◽  
Author(s):  
Yanan Zhu ◽  
Xianzhe Zeng ◽  
Tianchen Fu ◽  
Yang Cao ◽  
Hong Meng
Keyword(s):  
Charge Transfer ◽  
Charge Transport ◽  
Transport Properties ◽  
Organic Semiconductors ◽  
Steric Hindrance ◽  
Transfer Performance

The influence of steric hindrance and HOMO overlap on charge transfer performance for phenyl and thienyl substituent organic semiconductors.

Hydrostatic pressure effect on charge transport properties of phenacene organic semiconductors

2016 ◽  
Vol 18 (20) ◽  
pp. 13888-13896 ◽  
Author(s):  
Thao P. Nguyen ◽  
Ji Hoon Shim
Keyword(s):  
Charge Transfer ◽  
Hydrostatic Pressure ◽  
Charge Transport ◽  
Transport Properties ◽  
Organic Semiconductors ◽  
Electron Mobility ◽  
Pressure Effect ◽  
Applied Pressure ◽  
Dft Study ◽  
Classical Charge

A detailed DFT study on the effect of applied pressure on the hole and electron mobility of phenacene organic semiconductors using Marcus classical charge transfer theory.

Theoretical investigations into the charge transfer properties of thiophene α-substituted naphthodithiophene diimides: excellent n-channel and ambipolar organic semiconductors

2017 ◽  
Vol 19 (21) ◽  
pp. 13978-13993 ◽  
Author(s):  
Li-Fei Ji ◽  
Jian-Xun Fan ◽  
Shou-Feng Zhang ◽  
Ai-Min Ren
Keyword(s):  
Charge Transfer ◽  
Charge Transport ◽  
Transport Properties ◽  
Organic Semiconductors ◽  
Electronic Structures ◽  
Quantum Chemical ◽  
Chemical Methods ◽  
Quantum Chemical Methods ◽  
Theoretical Investigations ◽  
Transfer Properties

The effects of substituents at the thiophene α-position of NDTI on the electronic structures, stability, molecular packing and the charge transport properties were investigated using quantum chemical methods.

Growth direction dependent separate-channel charge transport in organic weak charge-transfer co-crystal of anthracene-DTTCNQ

2022 ◽  
Author(s):  
Hui Jiang ◽  
Jun Ye ◽  
Peng Hu ◽  
Shengli Zhu ◽  
Yanqin Liang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Charge Transport ◽  
Electronic Properties ◽  
Single Crystals ◽  
Organic Semiconductors ◽  
Crystal Engineering ◽  
Molecular Crystal ◽  
Growth Direction ◽  
Weak Charge ◽  
Separate Channel

Co-crystallization is an efficient way of molecular crystal engineering to tune the electronic properties of organic semiconductors. In this work, we synthesized anthracene-4,8-bis(dicyanomethylene)4,8-dihydrobenzo[1,2-b:4,5-b’]-dithiophene (DTTCNQ) single crystals as a template to...

scholarly journals Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transfer

2017 ◽  
Vol 8 (4) ◽  
pp. 2597-2609 ◽  
Author(s):  
Kenley M. Pelzer ◽  
Álvaro Vázquez-Mayagoitia ◽  
Laura E. Ratcliff ◽  
Sergei Tretiak ◽  
Raymond A. Bair ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electron Transfer ◽  
Charge Transfer ◽  
Charge Transport ◽  
Ab Initio ◽  
Organic Semiconductors ◽  
Multiscale Approach ◽  
Classical Approach ◽  
Classical Molecular Dynamics

Using ab initio calculations of charges in PCBM fullerenes, a multiscale approach applies classical molecular dynamics to model charge transfer.

Charge transport properties of co-evaporated organic–inorganic thin film charge transfer complexes: effects of intermolecular interactions

2020 ◽  
Vol 8 (47) ◽  
pp. 16725-16729
Author(s):  
Dong Shen ◽  
Yan Wu ◽  
Ming-Fai Lo ◽  
Chun-Sing Lee
Keyword(s):  
Thin Film ◽  
Charge Transfer ◽  
Charge Transport ◽  
Transport Properties ◽  
Intermolecular Interactions ◽  
Charge Transfer Complexes

Charge transport properties of the organic–inorganic MoO3 : 6T CTC thin film can be dramatically tuned via rubbing. The effects of intermolecular interactions on these changes are studied in detail.

Impact of molecular and packing structure on the charge-transport properties of hetero[8]circulenes

2021 ◽  
Author(s):  
Nataliya N. Karaush-Karmazin ◽  
Gleb V. Baryshnikov ◽  
Artem V. Kuklin ◽  
Diana I. Saykova ◽  
Hans Ågren ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Charge Transport ◽  
Transport Properties ◽  
Packing Structure ◽  
Se Substitution

The charge transfer mobility of hetero[8]circulenes tends to increase with O/NH or S/Se substitution and benzoannelation.

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