Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 42, Pages 29092-29100Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c6cp06101j
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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 pi-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.
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