Journal ArticleDOI
Formation dynamics of bipolaron in a metal/polymer/metal structure
TLDR
In this article, a nonadiabatic dynamic method was used to investigate the charge injection process from metal electrode to a nontegenerate polymer in a metal/polymer/ metal structure.Abstract:
Charge injection process from metal electrode to a
nondegenerate polymer in a metal/ polymer/ metal structure has been
investigated by using a nonadiabatic dynamic method. We
demonstrate that the dynamical formation of a bipolaron
sensitively depends on the strength of applied electric field, the
work function of metal electrode, and the contact between the
polymer and the electrode. For a given bias applied to one of the
electrode (V0) and coupling between the electrode and the
polymer (t′), such as V0=0.79 eV and t′=1 eV,
the charge injection process depending on the electric field can
be divided into the following three cases: (1) in the absence of
the electric field, only one electron tunnels into the polymer to
form a polaron near the middle of the polymer chain; (2) at low
electric fields, two electrons transfer into the polymer chain to
form a bipolaron; (3) at higher electric fields, bipolaron can not
be formed in the polymer chain, electrons are transferred from the
left electrode to right electrode through the polymer one by one
accompanying with small irregular lattice deformations.read more
Citations
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Journal ArticleDOI
Formation and evolution dynamics of bipolarons in conjugated polymers.
TL;DR: Results show that collisions between the two same charge polarons with parallel spin are essentially elastic due to strong Pauli repulsion, whereas the twosame charge polaron with antiparallel spins can combine into a singlet bipolaronic state.
Journal ArticleDOI
Electroluminescence Enhancement in Polymer Light-Emitting Diodes through Inelastic Scattering of Oppositely Charged Bipolarons
TL;DR: The results indicate that the scattering and combination of oppositely charged bipolarons may provide guidance for improving the internal quantum efficiency for electroluminescence to as high as 75% in polymer light-emitting diodes.
Journal ArticleDOI
The dynamic formation of trions in conjugated polymers
TL;DR: In this article, the dynamic formation of trion by recombination of an on-chain bipolaron with an off-chain counterion trapped in a radical molecule, under the influence of an external electric field, has been investigated using a nonadiabatic evolution method.
Journal ArticleDOI
Dynamics of Polaron at Polymer/Polymer Interface
TL;DR: Based on the one-dimensional tight-binding Su-Schrieffer-Heeger (SSH) model, a nonadiabatic evolution method was used in this paper to study how a polaron migrates through the conjugated polymer/polymer interface in the presence of external electric field.
Journal ArticleDOI
Dynamical study on charge injection and transport in a metal/polythiophene/metal structure
TL;DR: In this paper, the dynamical formation of the wave packet sensitively depends on the strength of applied voltage, the electric field, and the contact between polythiophene (PT) and electrode.
References
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Controlling Schottky energy barriers in organic electronic devices using self-assembled monolayers.
Ian Campbell,Shai Rubin,Thomas A. Zawodzinski,Joel D. Kress,Richard L. Martin,Darryl L. Smith,N. N. Barashkov,John P. Ferraris +7 more
TL;DR: An approach to improve metal/organic contacts in organic electronic devices by utilizing chemically tailored electrodes is demonstrated and a physical principle for manipulating the relative energy levels between two materials is established.
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Electronic conduction through organic molecules
TL;DR: The Green-function-based method presented here provides a powerful tool for accurate modeling of the semi-infinite contacts that are used to measure molecular resistance.