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Hot charge-transfer excitons set the time limit for charge separation at donor/acceptor interfaces in organic photovoltaics

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TLDR
This real-time view of hot CT exciton formation and relaxation using femtosecond nonlinear optical spectroscopies and non-adiabatic mixed quantum mechanics/molecular mechanics simulations in the phthalocyanine-fullerene model OPV system sets the fundamental time limit for competitive charge separation channels that lead to efficient photocurrent generation.
Abstract
Photocurrent generation in organic solar cells relies on the dissociation of excitons into free electrons and holes at donor/acceptor heterointerfaces. Femtosecond spectroscopy and non-adiabatic simulations on the phthalocyanine–fullerene model system now reveal the relaxation dynamics of hot charge-transfer excitons in this process.

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Citations
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Long-Range Balanced Electron- and Hole-Transport Lengths in Organic-Inorganic CH3NH3PbI3

TL;DR: Two studies show, using a variety of time-resolved absorption and emission spectroscopic techniques, that perovskite materials manifest relatively long diffusion paths for charge carriers energized by light absorption, highlighting effective carrier diffusion as a fruitful parameter for further optimization.
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Organic solar cells based on non-fullerene acceptors.

TL;DR: Non-fullerene OSCs show great tunability in absorption spectra and electron energy levels, providing a wide range of new opportunities, and this Review highlights these opportunities made possible by NF acceptors.
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Ultrafast charge transfer in atomically thin MoS2/WS2 heterostructures

TL;DR: It is shown that hole transfer from the MoS2 layer to the WS2 layer takes place within 50 fs after optical excitation, a remarkable rate for van der Waals coupled two-dimensional layers, which can enable novel two- dimensional devices for optoelectronics and light harvesting.
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Nonfullerene Acceptor Molecules for Bulk Heterojunction Organic Solar Cells

TL;DR: Progress is summarized, aiming to describe the molecular design strategy, to provide insight into the structure-property relationship, and to highlight the challenges the field is facing, with emphasis placed on most recent nonfullerene acceptors that demonstrated top-of-the-line photovoltaic performances.
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Organic Optoelectronic Materials: Mechanisms and Applications

TL;DR: The article reviews the current understanding of the physical mechanisms that determine the (opto)electronic properties of high-performance organic materials and highlights the capabilities of various experimental techniques for characterization, summarizes top-of-the-line device performance, and outlines recent trends in the further development of the field.
References
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Journal ArticleDOI

Molecular dynamics with electronic transitions

TL;DR: In this article, a method for carrying out molecular dynamics simulations of processes that involve electronic transitions is proposed, where the time dependent electronic Schrodinger equation is solved self-consistently with the classical mechanical equations of motion of the atoms.
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Charge Photogeneration in Organic Solar Cells

TL;DR: The backbone of a π-conjugated polymer is comprised of a linear series of overlapping pz orbitals that have formed via sp2 hybridization, thereby creating a conjugated chain of delocalized electron density, which dictates the electronic characteristics of the polymer.
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Initial Recombination of Ions

TL;DR: In the absence of forces other than the Coulomb attraction, the probability of escape equals the reciprocal of the Boltzmann factor as discussed by the authors, which is the proper procedure whenever the Langevin factor equals unity, as in gases at high pressures.
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Molecular Understanding of Organic Solar Cells: The Challenges

TL;DR: An overview of the optical and electronic processes that take place in a solid-state organic solar cell, which is defined as a cell in which the semiconducting materials between the electrodes are organic.
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On the origin of the open-circuit voltage of polymer–fullerene solar cells

TL;DR: It is demonstrated that charge-transfer absorption and emission are shown to be related to each other and Voc is determined by the formation of these states in accordance with the assumptions of the detailed balance and quasi-equilibrium theory.
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