Model potential study of non-valence correlation-bound anions of (C60)n clusters: the role of electric field-induced charge transfer

2019 ◽  
Vol 217 ◽  
pp. 547-560 ◽  
Author(s):  
Tae Hoon Choi ◽  
Kenneth D. Jordan
Keyword(s):  
Charge Transfer ◽  
Electric Field ◽  
Model Potential ◽  
Potential Study ◽  
Induced Charge

Orbitals associated with the non-valence correlation-bound anions of the C60 dimer and linear trimer from calculations allowing charge transfer.

scholarly journals An In-Situ Reaction Route to Molecular Level Dispersed Bisimide and ZnO Nanorod Hybrids with Efficient Photo-Induced Charge Transfer

2021 ◽  
Vol 16 (1) ◽  
Author(s):  
Chunzheng Lv ◽  
Lirong He ◽  
Jiahong Tang ◽  
Feng Yang ◽  
Chuhong Zhang
Keyword(s):  
Charge Transfer ◽  
Electric Field ◽  
Self Assembly ◽  
Molecular Level ◽  
Surface Photovoltage ◽  
Zno Nanorod ◽  
In Situ Reaction ◽  
Perylene Bisimide ◽  
Induced Charge

AbstractAs an important photoconductive hybrid material, perylene/ZnO has attracted tremendous attention for photovoltaic-related applications, but generally faces a great challenge to design molecular level dispersed perylenes/ZnO nanohybrids due to easy phase separation between perylenes and ZnO nanocrystals. In this work, we reported an in-situ reaction method to prepare molecular level dispersed H-aggregates of perylene bisimide/ZnO nanorod hybrids. Surface photovoltage and electric field-induced surface photovoltage spectrum show that the photovoltage intensities of nanorod hybrids increased dramatically for 100 times compared with that of pristine perylene bisimide. The enhancement of photovoltage intensities resulting from two aspects: (1) the photo-generated electrons transfer from perylene bisimide to ZnO nanorod due to the electric field formed on the interface of perylene bisimide/ZnO; (2) the H-aggregates of perylene bisimide in ZnO nanorod composites, which is beneficial for photo-generated charge separation and transportation. The introduction of ordered self-assembly thiol-functionalized perylene-3,4,9,10-tetracarboxylic diimide (T-PTCDI)/ ZnO nanorod composites induces a significant improvement in incident photo-to-electron conversion efficiency. This work provides a novel mentality to boost photo-induced charge transfer efficiency, which brings new inspiration for the preparation of the highly efficient solar cell.

Proton-induced collision dynamics on potential prebiotic sulfur species

2018 ◽  
Vol 20 (14) ◽  
pp. 9084-9089 ◽  
Author(s):  
Marie-Christine Bacchus-Montabonel
Keyword(s):  
Charge Transfer ◽  
Ab Initio ◽  
Theoretical Study ◽  
Collision Dynamics ◽  
Sulfur Species ◽  
Hcn Oligomers ◽  
Induced Charge

The role of sulfur in proton-induced charge transfer is analyzed through an ab initio theoretical study of mercaptoacetonitrile HSCH2CN with related HCN oligomers.

Formation of Ag2, Au2 and AgAu particles on MgO(100): DFT study on the role of support-induced charge transfer in metal–metal interactions

2009 ◽  
Vol 255 (16) ◽  
pp. 7380-7384 ◽  
Author(s):  
Silvia A. Fuente ◽  
Patricia G. Belelli ◽  
María M. Branda ◽  
Ricardo M. Ferullo ◽  
Norberto J. Castellani
Keyword(s):  
Charge Transfer ◽  
Dft Study ◽  
Metal Interactions ◽  
Metal Metal ◽  
Induced Charge

Creating and Optimizing Interfaces for Electric-Field and Photon-Induced Charge Transfer

ACS Nano ◽  
2012 ◽  
Vol 6 (11) ◽  
pp. 9466-9474 ◽  
Author(s):  
Byoungnam Park ◽  
Kevin Whitham ◽  
Jiung Cho ◽  
Elsa Reichmanis
Keyword(s):  
Charge Transfer ◽  
Electric Field ◽  
Induced Charge

scholarly journals Electric-Field-Induced Charge-Transfer Phase Transition: A Promising Approach Toward Electrically Switchable Devices

2009 ◽  
Vol 131 (41) ◽  
pp. 15049-15054 ◽  
Author(s):  
Tarik Mahfoud ◽  
Gábor Molnár ◽  
Sébastien Bonhommeau ◽  
Saioa Cobo ◽  
Lionel Salmon ◽  
...  
Keyword(s):  
Phase Transition ◽  
Charge Transfer ◽  
Electric Field ◽  
Transfer Phase ◽  
Induced Charge
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