| 1. |
- Abramavicius, V., et al.
(författare)
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Role of coherence and delocalization in photo-induced electron transfer at organic interfaces
- 2016
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Ingår i: Scientific Reports. - : NATURE PUBLISHING GROUP. - 2045-2322. ; 6:32914
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Tidskriftsartikel (refereegranskat)abstract
- Photo-induced charge transfer at molecular heterojunctions has gained particular interest due to the development of organic solar cells (OSC) based on blends of electron donating and accepting materials. While charge transfer between donor and acceptor molecules can be described by Marcus theory, additional carrier delocalization and coherent propagation might play the dominant role. Here, we describe ultrafast charge separation at the interface of a conjugated polymer and an aggregate of the fullerene derivative PCBM using the stochastic Schrodinger equation (SSE) and reveal the complex time evolution of electron transfer, mediated by electronic coherence and delocalization. By fitting the model to ultrafast charge separation experiments, we estimate the extent of electron delocalization and establish the transition from coherent electron propagation to incoherent hopping. Our results indicate that even a relatively weak coupling between PCBM molecules is sufficient to facilitate electron delocalization and efficient charge separation at organic interfaces.
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| 2. |
- Bergqvist, Jonas, et al.
(författare)
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New method for lateral mapping of bimolecular recombination in thin-film organic solar cells
- 2016
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Ingår i: Progress in Photovoltaics. - : John Wiley & Sons. - 1062-7995 .- 1099-159X. ; 24:8, s. 1096-1108
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Tidskriftsartikel (refereegranskat)abstract
- The best organic solar cells are limited by bimolecular recombination. Tools to study these losses are available; however, they are only developed for small area (laboratory-scale) devices and are not yet available for large area (production-scale) devices. Here we introduce the Intermodulation Light Beam-Induced Current (IMLBIC) technique, which allows simultaneous spatial mapping of both the amount of extracted photocurrent and the bimolecular recombination over the active area of a solar cell. We utilize the second-order non-linear dependence on the illumination intensity as a signature for bimolecular recombination. Using two lasers modulated with different frequencies, we record the photocurrent response at each modulation frequency and the bimolecular recombination in the second-order intermodulation response at the sum and difference of the two frequencies. Drift-diffusion simulations predict a unique response for different recombination mechanisms. We successfully verify our approach by studying solar cells known to have mainly bimolecular recombination and thus propose this method as a viable tool for lateral detection and characterization of the dominant recombination mechanisms in organic solar cells. We expect that IMLBIC will be an important future tool for characterization and detection of recombination losses in large area organic solar cells.
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| 3. |
- Felekidis, Nikolaos, et al.
(författare)
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Nonequilibrium drift-diffusion model for organic semiconductor devices
- 2016
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Ingår i: PHYSICAL REVIEW B. - : AMER PHYSICAL SOC. - 2469-9950 .- 2469-9969. ; 94:3
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Tidskriftsartikel (refereegranskat)abstract
- Two prevailing formalisms are currently used to model charge transport in organic semiconductor devices. Drift-diffusion calculations, on the one hand, are time effective but assume local thermodynamic equilibrium, which is not always realistic. Kinetic Monte Carlo models, on the other hand, do not require this assumption but are computationally expensive. Here, we present a nonequilibrium drift-diffusion model that bridges this gap by fusing the established multiple trap and release formalism with the drift-diffusion transport equation. For a prototypical photovoltaic system the model is shown to quantitatively describe, with a single set of parameters, experiments probing (1) temperature-dependent steady-state charge transport-space-charge limited currents, and (2) time-resolved charge transport and relaxation of nonequilibrated photocreated charges. Moreover, the outputs of the developed kinetic drift-diffusion model are an order of magnitude, or more, faster to compute and in good agreement with kinetic Monte Carlo calculations.
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