Topic
Bipolaron
About: Bipolaron is a research topic. Over the lifetime, 1335 publications have been published within this topic receiving 29154 citations. The topic is also known as: bipolarons.
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TL;DR: In this article, the formation of charged defects such as solitons, polarons and bipolarons in doped conjugated polymers is discussed and the results of ab initio quality calculations on the modifications of geometric and electronic structures occurring upon doping are presented.
107 citations
TL;DR: In this paper, the stochastic Liouville equation is applied to the field of organic magnetoresistance to perform detailed microscopic calculations on the different proposed models, and the influence of a magnetic field on the current in bipolaron, electron-hole pair, and triplet models is calculated.
Abstract: The stochastic Liouville equation is applied to the field of organic magnetoresistance to perform detailed microscopic calculations on the different proposed models. By adapting this equation, the influence of a magnetic field on the current in bipolaron, electron-hole pair, and triplet models is calculated. The simplicity and wide applicability of the stochastic Liouville equation makes it a powerful tool for interpreting experimental results on magnetoresistance measurements in organic semiconductors. New insights are gained on the influence of hopping rates and disorder on the magnetoresistance.
106 citations
TL;DR: The structural and spectroscopic theoretical predictions for both polaron and bipolaron lattices agree quite well with the experimental data, and it is found that the bipolaron structure is lower in energy.
Abstract: Calculations with Gaussian orbitals and periodic boundary conditions using several density functionals are carried out to study the proton-doping of polyaniline. We explore previously proposed mechanisms to explain the spectacular increase of the electrical conductivity of polyaniline upon protonation. The structural and spectroscopic theoretical predictions for both polaron and bipolaron lattices agree quite well with the experimental data, and we find that the bipolaron structure is lower in energy.
105 citations
TL;DR: In this article, a picture of the band-structure evolution upon doping is presented, showing the presence of bipolaron bands in the gap for experimentally achieved doping levels and a conductivity mechanism based on motion of spinless bipolarons is consistent with the absence of ESR signal in electrochemically cycled highly conducting polypyrrole.
Abstract: First-principles calculations on the geometric and electronic structures of undoped and doped polypyrrole chains indicate the appearance upon high doping of bipolaron states in the gap. A picture of the band-structure evolution upon doping is presented, showing the presence of bipolaron bands in the gap for experimentally achieved doping levels. A conductivity mechanism based on motion of spinless bipolarons is consistent with the absence of ESR signal in electro-chemically cycled highly conducting polypyrrole.
105 citations
TL;DR: In this article, the changes that occurred in the IR spectra of polypyrrole doped with dodecylsulfate were evaluated as it was progressively reduced electrochemically at constant current.
102 citations