The Reorganization Energy of CytochromecRevisited

1997 ◽  
Vol 101 (5) ◽  
pp. 825-836 ◽  
Author(s):  
Ingo Muegge ◽  
Phoebe X. Qi ◽  
A. Joshua Wand ◽  
Zhen T. Chu ◽  
Arieh Warshel
Keyword(s):  
Reorganization Energy

scholarly journals Is a Single Conformer Sufficient to Describe the Reorganization Energy of Amorphous Organic Transport Materials?

2021 ◽  
Author(s):  
J. Terence Blaskovits ◽  
Kun-Han Lin ◽  
Raimon Fabregat ◽  
Iwona Swiderska ◽  
Hélène Wu ◽  
...  
Keyword(s):  
Reorganization Energy ◽  
Single Conformer

scholarly journals Mediterranean Energy Dream and Cultural Planning between Old Layers and New Paradigms

2014 ◽  
Vol 11 ◽  
pp. 489-494
Author(s):  
Emanuela Nan
Keyword(s):  
Global Solution ◽  
Energy Supply ◽  
Reorganization Energy ◽  
Clean Energy ◽  
Energy Resources ◽  
Cultural Planning ◽  
New Approach ◽  
Local Resources ◽  
Production Distribution ◽  
The Mediterranean

In the recent years that the interconnection of the production, distribution and use of energy cannot be considered unconnected to the materials and information chains. A global solution to the problem of energy supply has to be looked for in a new approach taking into account all these factors in dependence of the local resources and characteristics (geographic, urban, cultural etc) of the territories. In areas such as the Mediterranean, where the ability to tap into the huge renewable and clean energy resources, are confronted with the reality of contexts secularly layered and saturated, in which, as perhaps nowhere else, landscapes and scenery of quality and value environmental and town are mixed and interwoven with situations of degradation, worthlessness and abandonment, the reorganization energy is, in this sense, an incredible opportunity to rethink and relaunch.

Controlling charge transfer in fullerene/phthalocyanine electron donor-acceptor conjugates/hybrids

2009 ◽  
Vol 13 (10) ◽  
pp. 1034-1039 ◽  
Author(s):  
Wolfgang Seitz ◽  
Axel Kahnt ◽  
Dirk M. Guldi ◽  
Tomas Torres
Keyword(s):  
Three Dimensional ◽  
Reorganization Energy ◽  
Model Systems ◽  
Transfer Reactions ◽  
Dimensional Electron ◽  
Specific Composition ◽  
Donor And Acceptor ◽  
Donor Acceptor ◽  
Light Harvesting Antenna ◽  
Energetic Charge

Fullerenes and phthalocyanines are ideally suited for devising integrated, multi-component model systems to transmit and process solar energy. Implementation of C 60 as a three-dimensional electron acceptor bears great promises on account of its small reorganization energy in electron transfer reactions and has exerted a noteworthy impact on the improvement of light-induced charge separation. This mini-review describes how the specific composition of phthalocyanines chromophores associated with C 60 – yielding artificial light-harvesting antenna and reaction center mimics – have been elegantly utilized to tune the electronic couplings between donor and acceptor sites. Specifically, the effects that these parameters have on the rate, yield and lifetime of the energetic charge-separated states are considered.

Theoretical study of charge-transport and optical properties of indeno[1,2-b]fluorene-6,12-dione-based semiconducting materials

2018 ◽  
Vol 74 (6) ◽  
pp. 705-711 ◽  
Author(s):  
Jin-Dou Huang ◽  
Jinfeng Zhao ◽  
Kun Yu ◽  
Xiaohua Huang ◽  
Shi-Bo Cheng ◽  
...  
Keyword(s):  
Optical Properties ◽  
Charge Transport ◽  
Near Infrared ◽  
Reorganization Energy ◽  
Hole Mobility ◽  
Side Chains ◽  
Semiconducting Materials ◽  
Π Stacking ◽  
Electron Transfer Theory ◽  
Reorganization Energies

The conducting and optical properties of a series of indeno[1,2-b]fluorene-6,12-dione (IFD)-based molecules have been systematically studied and the influences of butyl, butylthio and dibutylamino substituents on the reorganization energies, intermolecular electronic couplings and charge-injection barriers of IFD have been discussed. The quantum-chemical calculations combined with electron-transfer theory reveal that the incorporation of sulfur-linked side chains decreases reorganization energy associated with hole transfer and optimizes intermolecular π–π stacking, which results in excellent ambipolar charge-transport properties (μh = 1.15 cm2 V−1 s−1 and μe = 0.08 cm2 V−1 s−1); in comparison, addition of dibutylamino side chains increases intermolecular steric interactions and hinders perfect intermolecular π–π stacking, which results in the weak electronic couplings and finally causes the low intrinsic hole mobility (μh = 0.01 cm2 V−1 s−1). Furthermore, electronic spectra of butyl-IFD, butylthio-IFD and dibutylamino-IFD were simulated and compared with the reported experimental data. Calculations demonstrate that IFD-based molecules possess potential for developing novel infrared and near-infrared probe materials via suitable chemical modifications.

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