Partially diffusion-controlled recombination

Sano, Hisatake; Tachiya, M.

doi:10.1063/1.438427

Cited by 297 publications

(219 citation statements)

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“…As was pointed out in that reference, the factor 3 of deviation from the result according to the Eigen Á/Debye equation should not be taken too dogmatic because there is some arbitrariness, in principle, in assigning a first-order rate constant to the diffusional separation process of a pair of reactants. Indeed, alternative theoretical results have been presented in the literature that differ from the Eigen Á/Debye result by a factor of 2 Á/3 [59,60,50]. Hence we do not hesitate to take the k ce results for the [Ru(bpy) 3 ] 3' / MV '+ pairs as indicating diffusion-controlled separation.…”

Section: Cage Escapementioning

confidence: 99%

Ligand dependence of magnetic spin effects on photooxidation of [Ru(bpy)3−n(CN)2n](+2−2n) type complexes

Fodor

Ülveczki

Horváth

et al. 2002

Inorganica Chimica Acta

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Photoinduced electron transfer reaction from the series of [Ru(bpy) (3(n ) (2'(2n ) complexes (n0/0, 1, 2) to methylviologen has been investigated using external magnetic field modulation in order to obtain relevant kinetic parameters for spin relaxation, backward electron transfer and cage escape of the geminate radical pair. The replacement of one bpy by two cyanide ligands results in an increase of the quenching rate constant and a decrease of the cage escape efficiency. The latter is decreased in a magnetic field and the sensitivity of this effect is weakened by introducing CN ( ligands. From the analysis of the magnetic field dependence it can be inferred that with increasing number of CN ( ligands, backward electron transfer rate and spin relaxation time in the geminate radical pair exhibit a moderate decrease but that the rate constant of cage escape decreases very strongly. #

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Section: Cage Escapementioning

confidence: 99%

Ligand dependence of magnetic spin effects on photooxidation of [Ru(bpy)3−n(CN)2n](+2−2n) type complexes

Fodor

Ülveczki

Horváth

et al. 2002

Inorganica Chimica Acta

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“…However, it has latterly been argued that the Braun expression incorrectly assumes that separation and recombination follow exponential kinetics [109]. However, from a pragmatic point of view, it is difficult to be critical of the Braun model as analytical expressions which more correctly account for transport environment in OSCs [110][111][112] still do not encompass all of the potentially relevant physics [113,114]. Given that the geminate recombination model will (almost) inevitably not include physics relevant to the OPV in question, it is perhaps safest to consider the recombination rate in such models as a fitting parameter that is indicative of how good or bad GR is, but having no further quantitative meaning [73].…”

Section: 1mentioning

confidence: 99%

Simulating charge transport in organic semiconductors and devices: a review

Groves

2016

Rep. Prog. Phys.

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The full-text may be used and/or reproduced, and given to third parties in any format or medium, without prior permission or charge, for personal research or study, educational, or not-for-prot purposes provided that:• a full bibliographic reference is made to the original source • a link is made to the metadata record in DRO • the full-text is not changed in any way The full-text must not be sold in any format or medium without the formal permission of the copyright holders.Please consult the full DRO policy for further details. AbstractCharge transport simulation can be a valuable tool to better understand, optimise and design organic transistors (OTFTs), organic photovoltaics (OPVs), and light-emitting diodes (OLEDs). This review presents an overview of common charge transport and device models; namely drift-diffusion, master equation, mesoscale kinetic Monte Carlo and quantum chemical Monte Carlo, and a discussion of the relative merits of each. This is followed by a review of the application of these models as applied to charge transport in organic semiconductors and devices, highlighting in particular the insights made possible by modelling. The review concludes with an outlook for charge transport modelling in organic electronics.

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“…1,2,7,8 For the case of an isolated pair, exact expressions for Green's functions (GF) in the time domain, describing irreversible and reversible reactions in one, two, and three space dimensions, have been obtained. 6,[9][10][11] GF play a particular role in the theoretical description, because they can be used to derive other important quantities, for a) prustelt@niaid.nih.gov b) mms@niaid.nih.gov instance, survival probabilities and time-dependent reaction rate coefficients.…”

Section: Introductionmentioning

confidence: 99%

The area reactivity model of geminate recombination

Prüstel

Meier‐Schellersheim

2014

The Journal of Chemical Physics

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We investigate the reversible diffusion-influenced reaction of an isolated pair in the context of the area reactivity model that describes the reversible binding of a single molecule in the presence of a binding site in terms of a generalized version of the Feynman-Kac equation in two dimensions. We compute the corresponding exact Green's function in the Laplace domain for both the initially unbound and bound molecule. We discuss convolution relations that facilitate the calculation of the binding and survival probabilities. Furthermore, we calculate an exact analytical expression for the Green's function in the time domain by inverting the Laplace transform via the Bromwich contour integral and derive expressions for the binding and survival probability in the time domain as well. We numerically confirm the accuracy of the obtained expressions by propagating the generalized Feynman-Kac equation in the time domain. Our results should be useful for comparing the area reactivity model with the contact reactivity model. [http://dx

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Partially diffusion-controlled recombination

Cited by 297 publications

References 20 publications

Ligand dependence of magnetic spin effects on photooxidation of [Ru(bpy)3−n(CN)2n](+2−2n) type complexes

Ligand dependence of magnetic spin effects on photooxidation of [Ru(bpy)3−n(CN)2n](+2−2n) type complexes

Simulating charge transport in organic semiconductors and devices: a review

The area reactivity model of geminate recombination

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