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Band gap modulation in polythiophene and polypyrrole-based systems

In this paper, the structural and electronic properties of polythiophene and polyprrrole-based systems have been investigated using first-principles calculations both in periodic and oligomer forms. Of particular interest is the band gap modulation through substitutions and bilayer formation. Specif...

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Pubblicato in:Sci Rep
Autori principali: Kaloni, Thaneshwor P., Schreckenbach, Georg, Freund, Michael S.
Natura: Artigo
Lingua:Inglês
Pubblicazione: Nature Publishing Group 2016
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC5101528/
https://ncbi.nlm.nih.gov/pubmed/27827393
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep36554
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