Effects of a fluctuating electronic coupling matrix element on electron transfer rate

1993 ◽  
Vol 98 (8) ◽  
pp. 6263-6266 ◽  
Author(s):  
J. Tang
Keyword(s):  
Electron Transfer ◽  
Matrix Element ◽  
Transfer Rate ◽  
Electronic Coupling ◽  
Electron Transfer Rate ◽  
Coupling Matrix

Semiclassical and quantum-mechanical study of the reaction mechanism for the N2 + N2+ electron transfer system

2003 ◽  
Vol 81 (2) ◽  
pp. 125-132
Author(s):  
Yu-Mei Xing ◽  
Lan Chen ◽  
Chong Zhang ◽  
Zun-Sheng Cai ◽  
Xue-Zhuang Zhao
Keyword(s):  
Electron Transfer ◽  
Matrix Element ◽  
Transfer Reaction ◽  
Electron Transfer Reaction ◽  
Transmission Factor ◽  
Quantum Mechanical ◽  
Electronic Coupling ◽  
Transfer System ◽  
Coupling Matrix ◽  
Electron Transfer System

Density functional theory (DFT) calculations, including electron correlation, were carried out on the N2 + N2+ electron transfer system. Six geometries of the precursor complex were assumed and their stabilities were calculated and compared. The activation energy, the electronic transmission factor, and the electronic coupling matrix element in the electron transfer process were also calculated. The electronic transmission factor for this system was far less than unity (ca. 0.006~0.09); thus, the electron transfer reaction was considered to be diabatic in nature. Therefore, the electron transfer rate for the selected structures was calculated using semiclassical and quantum-mechanical theories. The calculated values were compared with each other and were in good agreement with the experimental value.Key words: N2 + N2+ electron transfer reaction, semiclassical and quantum-mechanical theories, electronic transmission factor, electronic coupling matrix element, B3LYP.

Tuning the Photocatalytic Performance of Plasmonic Nanocomposites (ZnO/Aux) Driven in Visible Light

2019 ◽  
Vol 8 (1) ◽  
pp. 56-61
Author(s):  
Aneeya K. Samantara ◽  
Debasrita Dash ◽  
Dipti L. Bhuyan ◽  
Namita Dalai ◽  
Bijayalaxmi Jena
Keyword(s):  
Electron Transfer ◽  
Photocatalytic Activity ◽  
Visible Light ◽  
Transfer Rate ◽  
Photocatalytic Performance ◽  
Light Exposure ◽  
Au Nanoparticle ◽  
Electron Transfer Rate ◽  
Au Nps ◽  
Zno Nanostructure

: In this article, we explored the possibility of controlling the reactivity of ZnO nanostructures by modifying its surface with gold nanoparticles (Au NPs). By varying the concentration of Au with different wt% (x = 0.01, 0.05, 0.08, 1 and 2), we have synthesized a series of (ZnO/Aux) nanocomposites (NCs). A thorough investigation of the photocatalytic performance of different wt% of Au NPs on ZnO nanosurface has been carried out. It was observed that ZnO/Au0.08 nanocomposite showed the highest photocatalytic activity among all concentrations of Au on the ZnO surface, which degrades the dye concentration within 2 minutes of visible light exposure. It was further revealed that with an increase in the size of plasmonic nanoparticles beyond 0.08%, the accessible surface area of the Au nanoparticle decreases. The photon absorption capacity of Au nanoparticle decreases beyond 0.08% resulting in a decrease in electron transfer rate from Au to ZnO and a decrease of photocatalytic activity. Background: Due to the industrialization process, most of the toxic materials go into the water bodies, affecting the water and our ecological system. The conventional techniques to remove dyes are expensive and inefficient. Recently, heterogeneous semiconductor materials like TiO2 and ZnO have been regarded as potential candidates for the removal of dye from the water system. Objective: To investigate the photocatalytic performance of different wt% of Au NPs on ZnO nanosurface and the effect of the size of Au NPs for photocatalytic performance in the degradation process. Methods: A facile microwave method has been adopted for the synthesis of ZnO nanostructure followed by a reduction of gold salt in the presence of ZnO nanostructure to form the composite. Results: ZnO/Au0.08 nanocomposite showed the highest photocatalytic activity which degrades the dye concentration within 2 minutes of visible light exposure. The schematic mechanism of electron transfer rate was discussed. Conclusion: Raspberry shaped ZnO nanoparticles modified with different percentages of Au NPs showed good photocatalytic behavior in the degradation of dye molecules. The synergetic effect of unique morphology of ZnO and well anchored Au nanostructures plays a crucial role.

The Single-Molecule Conductance and Electrochemical Electron-Transfer Rate Are Related by a Power Law

ACS Nano ◽  
2013 ◽  
Vol 7 (6) ◽  
pp. 5391-5401 ◽  
Author(s):  
Emil Wierzbinski ◽  
Ravindra Venkatramani ◽  
Kathryn L. Davis ◽  
Silvia Bezer ◽  
Jing Kong ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Single Molecule ◽  
Power Law ◽  
Transfer Rate ◽  
Electron Transfer Rate
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