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Dimensionality effects in the electronic structure of organic semiconductors consisting of polar repeat units

In conjugated organic molecules, excitation gaps typically decrease reciprocally with increasing the number of repeat units, n. This usually holds for individual molecules as well as for the corresponding bulk materials. Here, we show using density-functional theory calculations that a qualitatively...

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Main Authors: Rissner, Ferdinand, Natan, Amir, Egger, David A., Hofmann, Oliver T., Kronik, Leeor, Zojer, Egbert
Formato: Artigo
Idioma:Inglês
Publicado: Elsevier Science 2012
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC3587343/
https://ncbi.nlm.nih.gov/pubmed/23470879
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.orgel.2012.09.003
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