scholarly journals Improved electronic coupling in hybrid organic–inorganic nanocomposites employing thiol-functionalized P3HT and bismuth sulfide nanocrystals

Nanoscale ◽  
2014 ◽  
Vol 6 (17) ◽  
pp. 10018-10026 ◽  
Author(s):  
L. Martinez ◽  
S. Higuchi ◽  
A. J. MacLachlan ◽  
A. Stavrinadis ◽  
N. C. Miller ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Block Copolymers ◽  
Photovoltaic Performance ◽  
Electronic Coupling ◽  
Bismuth Sulfide ◽  
Transfer Rates ◽  
Inorganic Nanocomposites ◽  
Sulfide Nanocrystals

We show that thiol-functionalized block copolymers allow finer nanomorphologies, increased charge transfer rates and improved photovoltaic performance in nanocomposites

Photoinduced Charge Transfer Dynamics in Carotenoid-Porphyrin-C60 Triad via the Linearized Semiclassical Nonequilibrium Fermi's Golden Rule

2020 ◽  
Author(s):  
Zhengqing Tong ◽  
Margaret S. Cheung ◽  
Barry D. Dunietz ◽  
Eitan Geva ◽  
Xiang Sun
Keyword(s):  
Charge Transfer ◽  
Golden Rule ◽  
Time Dependent ◽  
Rate Coefficients ◽  
Initial State ◽  
Photoinduced Charge Transfer ◽  
Transfer Rates ◽  
Fermi's Golden Rule ◽  
Photoinduced Charge ◽  
Fermi’S Golden Rule

The nonequilibrium Fermi’s golden rule (NE-FGR) describes the time-dependent rate coefficient for electronic transitions, when the nuclear degrees of freedom start out in a <i>nonequilibrium</i> state. In this letter, the linearized semiclassical (LSC) approximation of the NE-FGR is used to calculate the photoinduced charge transfer rates in the carotenoid-porphyrin-C<sub>60</sub> molecular triad dissolved in explicit tetrahydrofuran. The initial nonequilibrium state corresponds to impulsive photoexcitation from the equilibrated ground-state to the ππ* state, and the porphyrin-to-C<sub>60</sub> and the carotenoid-to-C<sub>60</sub> charge transfer rates are calculated. Our results show that accounting for the nonequilibrium nature of the initial state significantly enhances the transition rate of the porphyrin-to-C<sub>60</sub> CT process. We also derive the instantaneous Marcus theory (IMT) from LSC NE-FGR, which casts the CT rate coefficients in terms of a Marcus-like expression, with explicitly time-dependent reorganization energy and reaction free energy. IMT is found to reproduce the CT rates in the system under consideration remarkably well.

Correction to Effect of Backbone Flexibility on Charge Transfer Rates in Peptide Nucleic Acid Duplexes

2012 ◽  
Vol 134 (31) ◽  
pp. 13141-13141 ◽  
Author(s):  
Emil Wierzbinski ◽  
Arnie de Leon ◽  
Xing Yin ◽  
Alexander Balaeff ◽  
Kathryn L. Davis ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Nucleic Acid ◽  
Peptide Nucleic Acid ◽  
Backbone Flexibility ◽  
Transfer Rates

Ruthenium-Amine Electronic Coupling Bridged through Phen-1,3-diyl Versus Phen-1,4-diyl: Reverse of the Charge Transfer Direction

2013 ◽  
Vol 32 (16) ◽  
pp. 4564-4570 ◽  
Author(s):  
Jian-Hong Tang ◽  
Si-Hai Wu ◽  
Jiang-Yang Shao ◽  
Hai-Jing Nie ◽  
Yu-Wu Zhong
Keyword(s):  
Charge Transfer ◽  
Electronic Coupling ◽  
Transfer Direction

scholarly journals Layer-resolved many-electron interactions in delafossite PdCoO2 from standing-wave photoemission spectroscopy

2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Qiyang Lu ◽  
Henrique Martins ◽  
Juhan Matthias Kahk ◽  
Gaurab Rimal ◽  
Seongshik Oh ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Standing Wave ◽  
Three Dimensional ◽  
Photoemission Spectroscopy ◽  
Electronic Coupling ◽  
Many Body ◽  
X Ray ◽  
Charge Transfer Excitons ◽  
Many Body Interactions ◽  
Electron Interactions

AbstractWhen a three-dimensional material is constructed by stacking different two-dimensional layers into an ordered structure, new and unique physical properties can emerge. An example is the delafossite PdCoO2, which consists of alternating layers of metallic Pd and Mott-insulating CoO2 sheets. To understand the nature of the electronic coupling between the layers that gives rise to the unique properties of PdCoO2, we revealed its layer-resolved electronic structure combining standing-wave X-ray photoemission spectroscopy and ab initio many-body calculations. Experimentally, we have decomposed the measured VB spectrum into contributions from Pd and CoO2 layers. Computationally, we find that many-body interactions in Pd and CoO2 layers are highly different. Holes in the CoO2 layer interact strongly with charge-transfer excitons in the same layer, whereas holes in the Pd layer couple to plasmons in the Pd layer. Interestingly, we find that holes in states hybridized across both layers couple to both types of excitations (charge-transfer excitons or plasmons), with the intensity of photoemission satellites being proportional to the projection of the state onto a given layer. This establishes satellites as a sensitive probe for inter-layer hybridization. These findings pave the way towards a better understanding of complex many-electron interactions in layered quantum materials.

Effect of Backbone Flexibility on Charge Transfer Rates in Peptide Nucleic Acid Duplexes

2012 ◽  
Vol 134 (22) ◽  
pp. 9335-9342 ◽  
Author(s):  
Emil Wierzbinski ◽  
Arnie de Leon ◽  
Xing Yin ◽  
Alexander Balaeff ◽  
Kathryn L. Davis ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Nucleic Acid ◽  
Peptide Nucleic Acid ◽  
Backbone Flexibility ◽  
Transfer Rates

On the Interplay between Electronic Structure and Polarizable Force Fields When Calculating Solution-Phase Charge-Transfer Rates

2020 ◽  
Vol 16 (10) ◽  
pp. 6481-6490
Author(s):  
Jaebeom Han ◽  
Pengzhi Zhang ◽  
Huseyin Aksu ◽  
Buddhadev Maiti ◽  
Xiang Sun ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Force Fields ◽  
Solution Phase ◽  
Transfer Rates ◽  
Polarizable Force Fields

scholarly journals Effects of the Distributions of Energy or Charge Transfer Rates on Spectral Hole Burning in Pigment–Protein Complexes at Low Temperatures

2011 ◽  
Vol 115 (50) ◽  
pp. 15098-15109 ◽  
Author(s):  
Nicoleta Herascu ◽  
Somaya Ahmouda ◽  
Rafael Picorel ◽  
Michael Seibert ◽  
Ryszard Jankowiak ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Low Temperatures ◽  
Protein Complexes ◽  
Hole Burning ◽  
Spectral Hole Burning ◽  
Transfer Rates ◽  
Spectral Hole ◽  
Pigment Protein Complexes

Conformational Flexibility Determines Electronic Coupling and Charge Transfer Character in Single Propeller-Shaped Perylene Diimide Tetramer Arrays

2018 ◽  
Vol 122 (41) ◽  
pp. 23261-23270 ◽  
Author(s):  
David J. Walwark ◽  
Benjamin D. Datko ◽  
Qinghe Wu ◽  
Andriy Neshchadin ◽  
Margaret L. Berrens ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Conformational Flexibility ◽  
Perylene Diimide ◽  
Electronic Coupling

Efficient electronic coupling and heterogeneous charge transport of zero-dimensional Cs4PbBr6 perovskite emitters

2020 ◽  
Vol 8 (45) ◽  
pp. 23803-23811
Author(s):  
Rugeng Liu ◽  
Chun Hong Mak ◽  
Xu Han ◽  
Yunqi Tang ◽  
Guohua Jia ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Charge Transport ◽  
Electrogenerated Chemiluminescence ◽  
Electronic Coupling

Zero-dimensional Cs4PbBr6 perovskite emitters exhibit efficient electrogenerated chemiluminescence by virtue of stronger electronic coupling and effective heterogeneous charge transfer.

scholarly journals Effect of Electronic Coupling on Electron Transfer Rates from Photoexcited Naphthalenediimide Radical Anion to Re(bpy)(CO)3X

2019 ◽  
Vol 123 (16) ◽  
pp. 10178-10190 ◽  
Author(s):  
Jose F. Martinez ◽  
Nathan T. La Porte ◽  
Subhajyoti Chaudhuri ◽  
Alessandro Sinopoli ◽  
Youn Jue Bae ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Radical Anion ◽  
Electronic Coupling ◽  
Transfer Rates
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