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

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.

RSC Advances ◽  
2014 ◽  
Vol 4 (90) ◽  
pp. 48876-48887 ◽  
Author(s):  
Aijaz Rasool Chaudhry ◽  
R. Ahmed ◽  
Ahmad Irfan ◽  
Shabbir Muhammad ◽  
A. Shaari ◽  
...  

By a push–pull strategy, highly efficient and photostable naphtho-difuran derivatives were designed to get improved intrinsic electron mobility (1.13 cm2 V−1 s−1).


2019 ◽  
Vol 21 (8) ◽  
pp. 4641-4649 ◽  
Author(s):  
Yanan Zhu ◽  
Xianzhe Zeng ◽  
Tianchen Fu ◽  
Yang Cao ◽  
Hong Meng

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


2017 ◽  
Vol 19 (21) ◽  
pp. 13978-13993 ◽  
Author(s):  
Li-Fei Ji ◽  
Jian-Xun Fan ◽  
Shou-Feng Zhang ◽  
Ai-Min Ren

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.


Author(s):  
Suryakanti Debata ◽  
Smruti R. Sahoo ◽  
Rudranarayan Khatua ◽  
Sridhar Sahu

In this study, we present an effective molecular design strategy to develop the n-type charge transport characteristics in organic semiconductors, using ring-fused double perylene diimides (DPDIs) as the model compounds.


2022 ◽  
Author(s):  
Hui Jiang ◽  
Jun Ye ◽  
Peng Hu ◽  
Shengli Zhu ◽  
Yanqin Liang ◽  
...  

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...


2017 ◽  
Vol 8 (4) ◽  
pp. 2597-2609 ◽  
Author(s):  
Kenley M. Pelzer ◽  
Álvaro Vázquez-Mayagoitia ◽  
Laura E. Ratcliff ◽  
Sergei Tretiak ◽  
Raymond A. Bair ◽  
...  

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


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