Massively Parallel Simulations on Light-Induced Charge Transfer in Molecules

2006 ◽  
Author(s):  
Mark R. Pederson ◽  
W.A. Anderson ◽  
Tunna Baruah
Keyword(s):  
Charge Transfer ◽  
Massively Parallel ◽  
Parallel Simulations ◽  
Induced Charge

Cooperative Absorption-Induced Charge Transfer in a Solid

1990 ◽  
Author(s):  
Isidore Last ◽  
Thomas F. George
Keyword(s):  
Charge Transfer ◽  
Induced Charge

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.

Phosphating-induced charge transfer on CoO/CoP interface for alkaline H2 evolution

2021 ◽  
Author(s):  
Qian Li ◽  
Yuchao Wang ◽  
Jian Zeng ◽  
Qiumei Wu ◽  
Qichen Wang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
H2 Evolution ◽  
Induced Charge

Radiation-induced charge transfer inefficiency in charge-coupled devices: Sentinel-4 CCD pre-development as a case study

2014 ◽  
Author(s):  
T. Prod'homme ◽  
J.-M. Belloir ◽  
H. Weber ◽  
G. Bazalgette Courrèges-Lacoste ◽  
R. Meynart ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Charge Coupled Devices ◽  
Radiation Induced ◽  
Induced Charge

Amorphous Co(OH)2 nanocages achieving efficient photo-induced charge transfer for significant SERS activity

2022 ◽  
Author(s):  
Jian Yu ◽  
CHEN CHAO ◽  
Jie Lin ◽  
Xiangyu Meng ◽  
Lin Qiu ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Raman Scattering ◽  
Vibronic Coupling ◽  
Substrate Molecule ◽  
Surface Enhanced ◽  
Critical Issues ◽  
Surface Enhanced Raman ◽  
Enhanced Raman Scattering ◽  
Induced Charge ◽  
Molecule Interactions

Boosting substrate-molecule interactions, especially the strong vibronic coupling and efficient photo-induced charge transfer (PICT) transitions, are critical issues to improve surface-enhanced Raman scattering (SERS) sensitivity of non-metal substrates. Here, by...

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
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