Journal ArticleDOI
Comparison of the electronic structure of PPV and its derivative DIOXA-PPV
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TLDR
In this article, the electronic structure of two conjugated polymers, PPV and its derivative DIOXA-PPV, are studied by quantum-chemistry methods and good agreement between the calculations and available experimental data validates the applied methods and enables to draw conclusions about properties of excitons and polarons in these polymers.About:
This article is published in Chemical Physics.The article was published on 2006-09-11. It has received 96 citations till now. The article focuses on the topics: Molecular electronics & Electronic structure.read more
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Approaches for fabricating high efficiency organic light emitting diodes
TL;DR: In this article, the efficiency records of OLED devices using fluorescent, phosphorescent, and thermally activated delay fluorescent materials are summarized and a review of all the available efficiency-effective device architectural approaches, which include using thin layer structures, low carrier injection barriers, high carrier mobility, balanced carrier injection, effective carrier confinement, effective host-to-guest energy transfer, effective recombination zone, effective exciton generation on the host and p-i-n structures, and tandem structures.
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New tools for the systematic analysis and visualization of electronic excitations. I. Formalism.
TL;DR: New analysis tools for excited states are introduced including state averaged natural transition orbitals, which give a compact description of a number of states simultaneously, and natural difference orbitals (defined as the eigenvectors of the difference density matrix), which reveal details about orbital relaxation effects.
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Theoretical Modeling of Singlet Fission
TL;DR: A review of the most recent advances with respect to the theoretical and computational studies on the singlet fission phenomenon revisits important aspects regarding electronic states involved in the process, the evaluation of fission rates and interstate couplings, and the advances in the design and characterization of single fission compounds and materials.
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Excited state and charge photogeneration dynamics in conjugated polymers
TL;DR: Recent results on the photophysics and excited state dynamics of conjugated polymers are summarized to paint a picture of exciton formation, quenching, and generation of charge carriers.
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Theoretical Characterization of the PC60BM:PDDTT Model for an Organic Solar Cell
TL;DR: In this article, the authors used time-dependent density functional theory together with a set of extensive multidimensional visualization techniques to characterize band gap, optical absorption properties, intramolecular and intern-wreaths charge transfer, exciton binding energy, charge transfer integral, and the rate of charge transfer and recombination in the PC60BM:PDDTT Model of an organic,solar cell.
References
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Journal ArticleDOI
Light-emitting diodes based on conjugated polymers
J. H. Burroughes,Donal D. C. Bradley,Adam R. Brown,R.N. Marks,K. D. Mackay,Richard H. Friend,P. L. Burns,Andrew B. Holmes +7 more
TL;DR: In this article, the authors demonstrate that poly(p-phenylene vinylene), prepared by way of a solution-processable precursor, can be used as the active element in a large-area light-emitting diode.
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Electroluminescence in conjugated polymers
Richard H. Friend,R. W. Gymer,A.B. Holmes,J. H. Burroughes,R.N. Marks,Carlo Taliani,Donal D. C. Bradley,D.A. dos Santos,Jean-Luc Brédas,Michael Lögdlund,William R. Salaneck +10 more
TL;DR: Research in the use of organic polymers as active semiconductors in light-emitting diodes has advanced rapidly, and prototype devices now meet realistic specifications for applications.
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An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules
TL;DR: In this paper, time-dependent density-functional (TDDFT) methods are applied within the adiabatic approximation to a series of molecules including C70, and they provide an efficient approach for treating frequency-dependent response properties and electronic excitation spectra of large molecules.
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Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold
TL;DR: In this paper, the performance of time-dependent density-functional response theory (TD-DFRT) for the calculation of high-lying bound electronic excitation energies of molecules is evaluated.