Microsecond Simulation of Electron Transfer in DNA: Bottom-Up Parametrization of an Efficient Electron Transfer Model Based on Atomistic Details

2017 ◽  
Vol 121 (3) ◽  
pp. 529-549 ◽  
Author(s):  
Mario Wolter ◽  
Marcus Elstner ◽  
Ulrich Kleinekathöfer ◽  
Tomáš Kubař
Keyword(s):  
Electron Transfer ◽  
Transfer Model ◽  
Bottom Up ◽  
Model Based

A Unified Electron Transfer Model for the Different Precursors and Excited States of the Hydrated Electron

2001 ◽  
Vol 105 (37) ◽  
pp. 8434-8439 ◽  
Author(s):  
Tak W. Kee ◽  
Dong Hee Son ◽  
Patanjali Kambhampati ◽  
Paul F. Barbara
Keyword(s):  
Electron Transfer ◽  
Excited States ◽  
Hydrated Electron ◽  
Transfer Model

Establishment and practical application of the electron transfer model in lithium-air batteries

Ionics ◽  
2017 ◽  
Vol 24 (3) ◽  
pp. 743-752
Author(s):  
Wantang Li ◽  
Huili Hu ◽  
Haihao Shi ◽  
Xiangguo Teng ◽  
Venkataraman Thangadurai ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Transfer Model ◽  
Practical Application ◽  
Lithium Air Batteries

scholarly journals Resonant catalysis of thermally activated chemical reactions with vibrational polaritons

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Jorge A. Campos-Gonzalez-Angulo ◽  
Raphael F. Ribeiro ◽  
Joel Yuen-Zhou
Keyword(s):  
Electron Transfer ◽  
Chemical Kinetics ◽  
Chemical Reactions ◽  
Cavity Mode ◽  
Resonant Cavity ◽  
Quantum States ◽  
Transfer Model ◽  
Dark State ◽  
Thermally Activated ◽  
Two Hybrid

Abstract Interaction between light and matter results in new quantum states whose energetics can modify chemical kinetics. In the regime of ensemble vibrational strong coupling (VSC), a macroscopic number $$N$$ N of molecular transitions couple to each resonant cavity mode, yielding two hybrid light–matter (polariton) modes and a reservoir of $$N-1$$ N − 1 dark states whose chemical dynamics are essentially those of the bare molecules. This fact is seemingly in opposition to the recently reported modification of thermally activated ground electronic state reactions under VSC. Here we provide a VSC Marcus–Levich–Jortner electron transfer model that potentially addresses this paradox: although entropy favors the transit through dark-state channels, the chemical kinetics can be dictated by a few polaritonic channels with smaller activation energies. The effects of catalytic VSC are maximal at light–matter resonance, in agreement with experimental observations.

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