Theoretical study of exciton dissociation through hot states at donor–acceptor interface in organic photocell

2015 ◽  
Vol 17 (19) ◽  
pp. 12538-12544 ◽  
Author(s):  
Tomomi Shimazaki ◽  
Takahito Nakajima
Keyword(s):  
Theoretical Study ◽  
Exciton Dissociation ◽  
Electron Hole ◽  
Donor Acceptor

We theoretically study the dissociation of geminate electron–hole pairs (i.e., excitons) through vibrational hot states at the donor–acceptor interface of organic photocells.

scholarly journals Phonon-Driven Ultrafast Exciton Dissociation at Donor-Acceptor Polymer Heterojunctions

2008 ◽  
Vol 100 (10) ◽  
Author(s):  
Hiroyuki Tamura ◽  
John G. S. Ramon ◽  
Eric R. Bittner ◽  
Irene Burghardt
Keyword(s):  
Exciton Dissociation ◽  
Donor Acceptor

Theoretical study on the charge transfer mechanism at donor/acceptor interface: Why TTF/TCNQ is inadaptable to photovoltaics?

2016 ◽  
Vol 145 (24) ◽  
pp. 244705 ◽  
Author(s):  
Shuang-Bao Li ◽  
Yun Geng ◽  
Yu-Ai Duan ◽  
Guang-Yan Sun ◽  
Min Zhang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Theoretical Study ◽  
Transfer Mechanism ◽  
Charge Transfer Mechanism ◽  
Donor Acceptor

The Role of Electron–Hole Separation in Thermally Activated Delayed Fluorescence in Donor–Acceptor Blends

2015 ◽  
Vol 119 (45) ◽  
pp. 25591-25597 ◽  
Author(s):  
Eric Hontz ◽  
Wendi Chang ◽  
Daniel N. Congreve ◽  
Vladimir Bulović ◽  
Marc A. Baldo ◽  
...  
Keyword(s):  
Delayed Fluorescence ◽  
Electron Hole ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Donor Acceptor

Theoretical Study on the Correlation between Band Gap, Bandwidth, and Oscillator Strength in Fluorene-Based Donor−Acceptor Conjugated Copolymers

2009 ◽  
Vol 113 (24) ◽  
pp. 8268-8277 ◽  
Author(s):  
Ying-Chieh Hung ◽  
Jyh-Chiang Jiang ◽  
Chi-Yang Chao ◽  
Wei-Fang Su ◽  
Shiang-Tai Lin
Keyword(s):  
Band Gap ◽  
Oscillator Strength ◽  
Theoretical Study ◽  
Donor Acceptor ◽  
Conjugated Copolymers

scholarly journals A G2(MP2) theoretical study of substituent effects on H3BNHnCl3−n (n= 3-0) donor-acceptor complexes

2008 ◽  
Vol 6 (3) ◽  
pp. 400-403 ◽  
Author(s):  
Hafid Anane ◽  
Soufiane Houssame ◽  
Abdelali Guerraze ◽  
Abdeladim Guermoune ◽  
Abderrahim Boutalib ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Substituent Effects ◽  
Lone Pair ◽  
Proton Affinities ◽  
Lone Pair Orbital ◽  
Chlorine Substitution ◽  
Donor Acceptor ◽  
Nitrogen Lone Pair ◽  
The Stability ◽  
N Compounds

AbstractThe complexation energies of H3BNHnCl3−n (n= 3-0) complexes and the proton affinities of NHnCl3−n compounds have been computed at the G2(MP2) level of theory. G2(MP2) results show that the successive chlorine substitution on the ammonia decreases both the basicity of the NHnCl3−n ligands and the stability of H3BNHnCl3−n complexes. The findings are interpreted in terms of the rehybridisation of the nitrogen lone-pair orbital. The NBO partitioning scheme shows that the variation of the N-H and N-Cl bond lengths, upon complexation, is due to variation of “s” character in these bonds.

Donor-acceptor-like behavior of electron-hole pair recombinations in low-dimensional (Ga,In)N/GaN systems

2003 ◽  
Vol 68 (4) ◽  
Author(s):  
A. Morel ◽  
P. Lefebvre ◽  
S. Kalliakos ◽  
T. Taliercio ◽  
T. Bretagnon ◽  
...  
Keyword(s):  
Hole Pair ◽  
Electron Hole ◽  
Electron Hole Pair ◽  
Donor Acceptor ◽  
Low Dimensional

Effects of Anthryl Groups on the Charge Transport and Photovoltaic Properties of Small Triarylamine-Based Donor-Acceptor Molecules: A Joint Experimental and Theoretical Study

2017 ◽  
Vol 2 (22) ◽  
pp. 6296-6303 ◽  
Author(s):  
Yue Jiang ◽  
Clément Cabanetos ◽  
Siriporn Jungsuttiwong ◽  
Domenico Alberga ◽  
Carlo Adamo ◽  
...  
Keyword(s):  
Charge Transport ◽  
Theoretical Study ◽  
Photovoltaic Properties ◽  
Donor Acceptor ◽  
Acceptor Molecules
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