Structure and electronic properties of Alq3 derivatives with electron acceptor/donor groups at the C4 positions of the quinolate ligands: a theoretical study

2011 ◽  
Vol 17 (12) ◽  
pp. 3039-3046 ◽  
Author(s):  
Joshi Laxmikanth Rao ◽  
Kotamarthi Bhanuprakash
Keyword(s):  
Electronic Properties ◽  
Electron Acceptor ◽  
Theoretical Study

Structural, vibrational and electronic properties of α′-Ga2S3 under compression

2021 ◽  
Author(s):  
S. Gallego-Parra ◽  
R. Vilaplana ◽  
O. Gomis ◽  
E. Lora da Silva ◽  
A. Otero-de-la-Roza ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Theoretical Study ◽  
Low Pressure ◽  
Electron Pairs ◽  
System P ◽  
Pressure Phase

We report a joint experimental and theoretical study of the low-pressure phase of α′-Ga2S3 under compression. The structural, vibrational, topological and electronic properties have been evaluated to reveal the relevance of the vacancy channels and the single and double lone electron pairs in the pressure behaviour of this system.

Effect of doping on the opto-electronic properties of hollow spheroid ZnO quantum dots: A theoretical study

2021 ◽  
Vol 270 ◽  
pp. 115220
Author(s):  
Sankarasubramanian Gopalakrishnan ◽  
Ramasamy Shankar ◽  
Ponmalai Kolandaivel
Keyword(s):  
Quantum Dots ◽  
Electronic Properties ◽  
Theoretical Study ◽  
Zno Quantum Dots ◽  
Effect Of Doping

Preponderant role of pentafluorophenyl moieties for tuning the electronic properties of extended benzodifuran-azomethine derivatives

2021 ◽  
Author(s):  
Chady Moussallem ◽  
Magali Allain ◽  
Frédéric Gohier ◽  
Pierre Frere
Keyword(s):  
Electronic Properties ◽  
Electron Donor ◽  
Electron Acceptor

From a central 3,7-bis(perfluorophenyl)-BDF unit, the extension performed with electron acceptor perfluorophenyl groups and/or electron donor N,N-dimethylamino groups via an imine link leads to symmetrical AAA and DAD or dissymmetrical...

The diverse electronic properties of C4N3monolayer under biaxial compressive strain: a theoretical study

2016 ◽  
Vol 49 (29) ◽  
pp. 295301 ◽  
Author(s):  
Haiping Wu ◽  
Yuzhen Liu ◽  
Erjun Kan ◽  
Yanming Ma ◽  
Wenjie Xu ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Theoretical Study ◽  
Compressive Strain

First Principle Calculations of the Electronic Properties of the Fullerene Derivative as an Electron Acceptor in Organic Solar Cells

2008 ◽  
Vol 112 (48) ◽  
pp. 19158-19161 ◽  
Author(s):  
Zhuxia Zhang ◽  
Peide Han ◽  
Xuguang Liu ◽  
Junfu Zhao ◽  
Husheng Jia ◽  
...  
Keyword(s):  
Solar Cells ◽  
Electronic Properties ◽  
Electron Acceptor ◽  
Organic Solar Cells ◽  
Fullerene Derivative ◽  
First Principle ◽  
First Principle Calculations
Sign in / Sign up

Export Citation Format

Share Document