Insights on Interfacial Charge Transfer Across P3HT/Fullerene Photovoltaic Heterojunction from Ab Initio Calculations

Nano Letters ◽  
2007 ◽  
Vol 7 (7) ◽  
pp. 1967-1972 ◽  
Author(s):  
Yosuke Kanai ◽  
Jeffrey C. Grossman
Keyword(s):  
Charge Transfer ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Interfacial Charge Transfer ◽  
Interfacial Charge

scholarly journals Thousand-atom ab initio calculations of excited states at organic/organic interfaces: toward first-principles investigations of charge photogeneration

2018 ◽  
Vol 20 (41) ◽  
pp. 26443-26452 ◽  
Author(s):  
Takatoshi Fujita ◽  
Md. Khorshed Alam ◽  
Takeo Hoshi
Keyword(s):  
Charge Transfer ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Excited States ◽  
First Principles ◽  
Wave Functions ◽  
Interfacial Charge Transfer ◽  
Organic Interfaces ◽  
Interfacial Charge

Electron and hole wave functions of low-lying and hybridized interfacial charge-transfer states across the pentacene/C60 interface.

The suppression of spin–orbit coupling effect by the ZnO layer of La0.7Sr0.3MnO3/ZnO heterostructures grown on (001) oriented Si restores the negative magnetoresistance

Nanoscale ◽  
2021 ◽  
Author(s):  
Bibekananda Das ◽  
Prahallad Padhan
Keyword(s):  
Charge Transfer ◽  
Coupling Effect ◽  
Orbit Coupling ◽  
Negative Magnetoresistance ◽  
Magnetic Scattering ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Interfacial Charge Transfer ◽  
Positive Magnetoresistance ◽  
Interfacial Charge

In Si–La0.7Sr0.3MnO3, the interfacial charge transfer driven strong localized antiferromagnetic and spin–orbit couplings favor positive magnetoresistance, which is suppressed by strong magnetic scattering induced by the top ZnO layer results in negative magnetoresistance.

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