scholarly journals Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties

2015 ◽  
Vol 6 (6) ◽  
pp. 3402-3409 ◽  
Author(s):  
Kamal Sbargoud ◽  
Masashi Mamada ◽  
Jérôme Marrot ◽  
Shizuo Tokito ◽  
Abderrahim Yassar ◽  
...  
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Closed Shell ◽  
Molecular Packing ◽  
Broad Absorption

A fixed Chichibabin's hydrocarbon CHI1 shows a closed shell configuration with a broad absorption from 400 up to 900 nm.

scholarly journals Charge-transport properties of 4-(1,2,2-triphenylvinyl)aniline salicylaldehyde hydrazone: tight-packing induced molecular `hardening'

IUCrJ ◽  
2017 ◽  
Vol 4 (5) ◽  
pp. 695-699 ◽  
Author(s):  
Huipeng Ma ◽  
Shuo Chai ◽  
Dengyi Chen ◽  
Jin-Dou Huang
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Crystal Packing ◽  
Reorganization Energy ◽  
Polymeric Materials ◽  
Hole Mobility ◽  
Molecular Packing ◽  
Transport Parameters ◽  
Calculation Results ◽  
Hopping Models

Based on first-principles calculations, the relationship between molecular packing and charge-transport parameters has been investigated and analysed in detail. It is found that the crystal packing forces in the flexible organic molecule 4-(1,2,2-triphenylvinyl)aniline salicylaldehyde hydrazone (A) can apparently overcome the dynamic intramolecular rotations and the intramolecular steric repulsion, effectively enhancing the molecular rigidity and decreasing the internal reorganization energy. The conducting properties ofAhave also been simulated within the framework of hopping models, and the calculation results show that the intrinsic electron mobility inAis much higher than the corresponding intrinsic hole mobility. These theoretical investigations provide guidance for the efficient and targeted control of the molecular packing and charge-transport properties of organic small-molecule semiconductors and conjugated polymeric materials.

Theoretical study on the charge transport properties of three series of dicyanomethylene quinoidal thiophene derivatives

2019 ◽  
Vol 21 (6) ◽  
pp. 3044-3058 ◽  
Author(s):  
Pan-Pan Lin ◽  
Shou-Feng Zhang ◽  
Ning-Xi Zhang ◽  
Jian-Xun Fan ◽  
Li-Fei Ji ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Charge Transport ◽  
Transport Properties ◽  
Weak Interaction ◽  
Theoretical Study ◽  
Electron Injection ◽  
Terminal Group ◽  
Molecular Packing ◽  
Thiophene Derivatives

The effects of different connection modes on the electronic structure, electron injection ability, air stability and charge transport properties were researched. Further weak interaction was investigated to analyze the influence of terminal group and the different backbone on molecular packing.

Annealing-Induced Morphological Changes in Nanocrystalline Quantum Dots and Their Impact on Charge Transport Properties

2011 ◽  
Vol 41 (3) ◽  
pp. 524-529 ◽  
Author(s):  
Sushmita Biswas ◽  
David J. Gosztola ◽  
Gary P. Wiederrecht ◽  
Michael A. Stroscio ◽  
Mitra Dutta
Keyword(s):  
Quantum Dots ◽  
Charge Transport ◽  
Transport Properties ◽  
Morphological Changes

Correlating Charge Transport Properties of Conjugated Polymers in Solution Aggregates and Thin‐Film Aggregates

2021 ◽  
Author(s):  
Jian Pei ◽  
Zi-Yuan Wang ◽  
Lucia Di Virgilio ◽  
Ze-Fan Yao ◽  
Zi-Di Yu ◽  
...  
Keyword(s):  
Thin Film ◽  
Conjugated Polymers ◽  
Charge Transport ◽  
Transport Properties
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