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Issue 1, 2014

Mind the gap!

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Abstract

The energy gap between the highest occupied and lowest unoccupied electronic levels is a critical parameter determining the electronic, optical, redox, and transport (electrical) properties of a material. However, the energy gap comes in many flavors, such as the band gap, HOMO–LUMO gap, fundamental gap, optical gap, or transport gap, with each of these terms carrying a specific meaning. Failure to appreciate the distinctions among these different energy gaps has caused much confusion in the literature, which is manifested by the frequent use of improper terminology, in particular, in the case of organic molecular or macromolecular materials. Thus, it is our goal here to clarify the meaning of the various energy gaps that can be measured experimentally or evaluated computationally, with a focus on π-conjugated materials of interest for organic electronics and photonics applications.

Graphical abstract: Mind the gap!

Article information


Submitted
29 Aug 2013
Accepted
03 Sep 2013
First published
19 Sep 2013

Mater. Horiz., 2014,1, 17-19
Article type
Focus

Mind the gap!

J. Bredas, Mater. Horiz., 2014, 1, 17 DOI: 10.1039/C3MH00098B

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