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RISS 인기검색어
- 검색키워드
- 저자 : M. Tachiya (검색결과 3 건)
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Wojcik, Mariusz,Michalak, Przemyslaw,Tachiya, M. Korean Chemical Society 2012 Bulletin of the Korean Chemical Society Vol.33 No.3
Geminate electron-hole recombination in organic solids in the presence of a donor-acceptor heterojunction is studied by computer simulations. We analyze how the charge-pair separation probability in such systems is affected by energetic disorder of the media, anisotropy of charge-carrier mobilities, and other factors. We show that in energetically disordered systems the effect of heterojunction on the charge-pair separation probability is stronger than that in idealized systems without disorder. We also show that a mismatch between electron and hole mobilities reduces the separation probability, although in energetically disordered systems this effect is weaker compared to the case of no energetic disorder. We demonstrate that the most important factor that determines the charge-pair separation probability is the ratio of the sum of electron and hole mobilities to the rate constant of recombination reaction. We also consider systems with mobility anisotropy and calculate the electric field dependence of the charge-pair separation probability for all possible orientations of high-mobility axes in the donor and acceptor phases. We theoretically show that it is possible to increase the charge-pair separation probability by controlling the mobility anisotropy in heterojunction systems and in consequence to achieve higher efficiencies of organic photovoltaic devices.
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Mariusz Wojcik,Przemyslaw Michalak,M. Tachiya 대한화학회 2012 Bulletin of the Korean Chemical Society Vol.33 No.3
Geminate electron-hole recombination in organic solids in the presence of a donor-acceptor heterojunction is studied by computer simulations. We analyze how the charge-pair separation probability in such systems is affected by energetic disorder of the media, anisotropy of charge-carrier mobilities, and other factors. We show that in energetically disordered systems the effect of heterojunction on the charge-pair separation probability is stronger than that in idealized systems without disorder. We also show that a mismatch between electron and hole mobilities reduces the separation probability, although in energetically disordered systems this effect is weaker compared to the case of no energetic disorder. We demonstrate that the most important factor that determines the charge-pair separation probability is the ratio of the sum of electron and hole mobilities to the rate constant of recombination reaction. We also consider systems with mobility anisotropy and calculate the electric field dependence of the charge-pair separation probability for all possible orientations of high-mobility axes in the donor and acceptor phases. We theoretically show that it is possible to increase the charge-pair separation probability by controlling the mobility anisotropy in heterojunction systems and in consequence to achieve higher efficiencies of organic photovoltaic devices.
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Subdiffusion-assisted reaction kinetics in disordered media
Kim, Ji-Hyun,Huh, Dann,Lee, Jinuk,Lee, Sangyoub,Sung, Jaeyoung,Seki, Kazuhiko,Tachiya, M IOP Pub 2007 Journal of Physics, Condensed Matter Vol.19 No.6
<P>We present a theory for describing the reaction process occurring in disordered media with energetically disordered trapping sites and spatial constraints. The theory is based on a generalized fractional reaction–diffusion equation, which describes the time evolution of the mean distribution of a particle performing a continuous time random walk on a fractal network. The motion of a particle is subdiffusive because of the spatial constraints and/or the random detrapping times described by a waiting time distribution given by ψ(<I>t</I>)∼<I>t</I><SUP>−(1+α)</SUP> with 0<α<1. Assuming that the reaction occurs at a separation of contact, the reaction and transport processes are decoupled and the kinetic information for the reaction is expressed in terms of the reaction-free Green’s function obtained with the reflecting boundary condition at the separation of contact. The survival probability of a reactant pair is shown to decay asymptotically as τ<SUP>−α|<I>d</I><SUB>s</SUB>/2−1|</SUP>, where <I>d</I><SUB>s</SUB> is the fracton dimension of the fractal network under consideration. We also check the validity of the analytical results by comparison with Monte Carlo simulation results.</P>
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