Theoretical Investigation of Electronic Transfer Rate for Au Metal Contact with Bathocuproine BCP Dye

2021 ◽  
Vol 1039 ◽  
pp. 363-372
Author(s):  
Hadi J.M. Al-Agealy ◽  
Sarmad S. Al-Obaidi ◽  
Saadi R. Abbas

In this paper, a theoretical model is used to investigate and evaluate the electronic transfer rate by using Au metal contact with 2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline, known as BCP. Electron transfer process is a necessary in variety electronic devices. The electron transfer rate investigates and calculates for Au/BCP interface due to transition energy, Fermi energy, ionization energy and strength coupling to calculate results in a wide solvent media. In this work, the Au metal is used a donor state with BCP molecule as acceptor to study the electron transfer process with changing thirteen solvents media. The results show that electron transfer parameters of the Au/BCP system have been strong dependent on transition energy. It's given acceptable rate in room temperature with barrier ranging 1.169, 1.091, 1.081, 1.086 and 1.064 eV for Diethyl ether, Ethyl, Tetrahydrofuran (THF), Acetic acid and 1,2-Dimethoxyethane as result to have low transition energy compare with 0.946, 0.940, 0.967, 0.951, 0.970 and 0.977 eV for Methanol, Water, Acetone, Ethanol, Acetonitrile and 2,2,2-Trifluoroethanol because have large transition energy.The Au/BCP device has large electron transfer rate with water and Methanol in range 19.328 × 10-9 to 15.205 × 10-9 (cm4/ sec) compare with low electron transfer rate with Diethyl and Ethyl acetate in range 0.006 × 10-9 to 0.091 × 10-9 (cm4/ sec). Moreover, the devices that are employing Au in contact with BCP show higher electronic transfer rate with less polarity solvent.

2019 ◽  
Vol 8 (1) ◽  
pp. 56-61
Author(s):  
Aneeya K. Samantara ◽  
Debasrita Dash ◽  
Dipti L. Bhuyan ◽  
Namita Dalai ◽  
Bijayalaxmi Jena

: 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.


ACS Nano ◽  
2013 ◽  
Vol 7 (6) ◽  
pp. 5391-5401 ◽  
Author(s):  
Emil Wierzbinski ◽  
Ravindra Venkatramani ◽  
Kathryn L. Davis ◽  
Silvia Bezer ◽  
Jing Kong ◽  
...  

2006 ◽  
Vol 110 (39) ◽  
pp. 19433-19442 ◽  
Author(s):  
William J. Royea ◽  
Thomas W. Hamann ◽  
Bruce S. Brunschwig ◽  
Nathan S. Lewis

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