Bipolaron recombination in conjugated polymers

Bipolaron recombination in conjugated polymers.

By using the Su-Schrieffer-Heeger model modified to include electron-electron interactions, the Brazovskii-Kirova symmetry breaking term and an external electric field, we investigate the scattering process between a negative and a positive bipolaron in a system composed of two coupled polymer chains. Our results show that the Coulomb interactions do not favor the bipolaron recombination. In th...

Spin-dependent polaron recombination in conjugated polymers.

We simulate the interchain polaron recombination process in conjugated polymer systems using a nonadiabatic molecular dynamics method, which allows for the coupled evolution of the nuclear degrees of freedom and multiconfigurational electronic wavefunctions. Within the method, the appropriate spin symmetry of the electronic wavefunction is taken into account, thus allowing us to distinguish bet...

Spin transport and bipolaron density in organic polymers.

We present a theory for spin-polarized transport through a generic organic polymer connected to ferromagnetic leads with arbitrary angle θ between their magnetization directions, taking into account the polaron and bipolaron states as effective charge and spin carriers. Within a diffusive description of polaron-bipolaron transport including polaron-bipolaron conversion, we find that the bipolar...

Chiral -conjugated organoboron polymers*

A novel π-conjugated organoboron polymer with a chiral side chain was prepared by way of hydroboration polymerization between an optically active diyne monomer and triisopropylphenylborane. The achiral analog of this organoboron polymer was also prepared as reference material. Optical properties and optical activity were investigated by UV–vis absorption, fluorescence emission, and circular dic...

Conformational disorder in conjugated polymers