A theoretical study of the electronic structure of phosphine oxide and trimethylphosphine oxide and the donor–acceptor properties of phosphine and trimethylphosphine

1970 ◽  
Vol 0 (0) ◽  
pp. 2475-2477 ◽  
Author(s):  
I. H. Hillier ◽  
V. R. Saunders
Keyword(s):  
Electronic Structure ◽  
Phosphine Oxide ◽  
Theoretical Study ◽  
Donor Acceptor

Modified Fullerenes as an Acceptor in Bulk Heterojunction Organic Solar Cell – A Theoretical study

2021 ◽  
Author(s):  
Krishnan Sangameswaran ◽  
Kittusamy Senthilkumar
Keyword(s):  
Electronic Structure ◽  
Organic Solar Cells ◽  
Organic Solar Cell ◽  
High Efficiency ◽  
Theoretical Study ◽  
Bulk Heterojunction ◽  
Electronic Structure Calculations ◽  
Fullerene Derivatives ◽  
Donor Acceptor ◽  
Structure Calculations

In the present study the electronic structure calculations were used to provide the designing strategies for P3HT-fullerene derivatives based donor-acceptor materials for high efficiency Bulk Heterojunction Organic Solar Cells (BHJ...

Comment on “Pressure-induced structural and valence transition in AgO” by C. Hou, J. Botana, X. Zhang, X. Wang and M. Miao, Phys. Chem. Chem. Phys., 2016, 18, 15322

2016 ◽  
Vol 18 (46) ◽  
pp. 31973-31974 ◽  
Author(s):  
Mariana Derzsi ◽  
Wojciech Grochala
Keyword(s):  
Electronic Structure ◽  
Recent Article ◽  
Theoretical Study ◽  
Mixed Valence ◽  
Chem Phys ◽  
External Pressure ◽  
Valence Transition ◽  
Mixed Valence Compound ◽  
Phys Chem Chem Phys

The recent article by Hou et al. has focused on a theoretical study of mixed valence compound AgO in order to elucidate the nature of the electronic structure of this system as a function of external pressure.

Theoretical study on the charge transfer mechanism at donor/acceptor interface: Why TTF/TCNQ is inadaptable to photovoltaics?

2016 ◽  
Vol 145 (24) ◽  
pp. 244705 ◽  
Author(s):  
Shuang-Bao Li ◽  
Yun Geng ◽  
Yu-Ai Duan ◽  
Guang-Yan Sun ◽  
Min Zhang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Theoretical Study ◽  
Transfer Mechanism ◽  
Charge Transfer Mechanism ◽  
Donor Acceptor
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