Issue 42, 2016

Band-structure engineering in conjugated 2D polymers

Abstract

Conjugated polymers find widespread application in (opto)electronic devices, sensing, and as catalysts. Their common one-dimensional structure can be extended into the second dimension to create conjugated planar sheets of covalently linked molecules. Extending π-conjugation into the second dimension unlocks a new class of semiconductive polymers which as a consequence of their unique electronic properties can find usability in numerous applications. In this article the theoretical band structures of a set of conjugated 2D polymers are compared and information on the important characteristics band gap and valence/conduction band dispersion is extracted. The great variance in these characteristics within the investigated set suggests 2D polymers as exciting materials in which band-structure engineering can be used to tailor sheet-like organic materials with desired electronic properties.

Graphical abstract: Band-structure engineering in conjugated 2D polymers

Supplementary files

Article information

Article type
Paper
Submitted
03 Sep 2016
Accepted
28 Sep 2016
First published
28 Sep 2016
This article is Open Access
Creative Commons BY license

Phys. Chem. Chem. Phys., 2016,18, 29092-29100

Band-structure engineering in conjugated 2D polymers

R. Gutzler, Phys. Chem. Chem. Phys., 2016, 18, 29092 DOI: 10.1039/C6CP06101J

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