Abstract
The formation of polaron and/or bipolaron species upon chemical doping and photo- or electro-chemical generation is a scientific and technological problem which is still object of discussion. Here we use a simple electrostatic model to study the role of the interchain interaction in stabilizing or destabilizing the bipolaronic structure, which is usually neglected in theoretical studies. The results show that, as a consequence of the interchain interactions in the bulk system, a bipolaron generated on a single oligomer chain more than 12 units long will soon split into two polarons on adjacent chains, this process being maximized for specific interchain distances.
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Ottonelli, M., Musso, G., Dellepiane, G. (2009). Evolution of the bipolaron structure in oligo-diacetylene films: a semiempirical study. In: Al-Shamery, K., Horowitz, G., Sitter, H., Rubahn, HG. (eds) Interface Controlled Organic Thin Films. Springer Proceedings in Physics, vol 129. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-95930-4_22
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DOI: https://doi.org/10.1007/978-3-540-95930-4_22
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