Oriented Conjugated Copolymer Films with Controlled Crystal Forms and Molecular Stacking Modes for Enhanced Charge Transport and Photoresponsivity

2021 ◽  
Author(s):  
Junjie Wang ◽  
Yuchao Liu ◽  
Lei Hua ◽  
Tianyu Wang ◽  
Huanli Dong ◽  
...  
Keyword(s):  
Charge Transport ◽  
Crystal Forms ◽  
Copolymer Films ◽  
Conjugated Copolymer ◽  
Molecular Stacking

The role of electron-attracting substituents and molecular stacking motifs in the charge transport of tetraazapyrene derivatives

2019 ◽  
Vol 43 (15) ◽  
pp. 5706-5718 ◽  
Author(s):  
Ya-Rui Shi ◽  
Hui-Ling Wei ◽  
Yu-Fang Liu
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Photophysical Properties ◽  
Frontier Orbital ◽  
Orbital Energies ◽  
Molecular Stacking

The frontier orbital energies, charge transport properties and photophysical properties of TAPy derivatives were theoretically investigated by means of DFT.

The impact of molecular stacking interactions on the electronic structure and charge transport properties in distyrylbenzene (DSB-) based D–A complexes: a theoretical study

RSC Advances ◽  
2015 ◽  
Vol 5 (59) ◽  
pp. 47681-47691 ◽  
Author(s):  
Xi Chen ◽  
Fu-Quan Bai ◽  
Hai-Tao Wang ◽  
Hong-Xing Zhang ◽  
Yongan Tang
Keyword(s):  
Density Functional Theory ◽  
Optical Properties ◽  
Electronic Structure ◽  
Charge Transport ◽  
Density Functional ◽  
Theoretical Study ◽  
Stacking Interactions ◽  
Functional Theory ◽  
The Impact ◽  
Molecular Stacking

Comparison and prediction of the D–A configuration and electrical/optical properties of three mixed-stack D–A cocrystal complexes have been investigated by density functional theory.

scholarly journals Highly Efficient Microscopic Charge Transport within Crystalline Domains in a Furan‐Flanked Diketopyrrolopyrrole‐Based Conjugated Copolymer

2021 ◽  
Vol 31 (41) ◽  
pp. 2106702
Author(s):  
Hisaaki Tanaka ◽  
Shinya Kawamura ◽  
Prashant Sonar ◽  
Yukihiro Shimoi ◽  
Thu Trang Do ◽  
...  
Keyword(s):  
Charge Transport ◽  
Highly Efficient ◽  
Conjugated Copolymer ◽  
Crystalline Domains

Theoretical study on the molecular stacking interactions and charge transport properties of triazasumanene crystals – from explanation to prediction

2021 ◽  
Author(s):  
Xi Chen ◽  
Hidehiro Sakurai ◽  
Huan Wang ◽  
Simeng Gao ◽  
Hong-Da Bi ◽  
...  
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Molecular Interactions ◽  
Theoretical Study ◽  
Stacking Interactions ◽  
Dimer Model ◽  
Molecular Stacking

Different molecular interactions in triazasumanene racemic and homochiral crystals were investigated by a simple dimer model.

scholarly journals Highly Efficient Microscopic Charge Transport within Crystalline Domains in a Furan‐Flanked Diketopyrrolopyrrole‐Based Conjugated Copolymer

2020 ◽  
Vol 30 (25) ◽  
pp. 2000389 ◽  
Author(s):  
Hisaaki Tanaka ◽  
Shinya Kawamura ◽  
Prashant Sonar ◽  
Yukihiro Shimoi ◽  
Thu Trang Do ◽  
...  
Keyword(s):  
Charge Transport ◽  
Highly Efficient ◽  
Conjugated Copolymer ◽  
Crystalline Domains
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