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Mind the gap!
Open accessAbstract
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.
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Citations
Cited by
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Kahn, A. (2016) · Materials Horizons · doi:10.1039/c5mh00160a · Cited by 1,079
Renewed Prospects for Organic Photovoltaics
Zhang, G., Lin, F. R., Qi, F., Heumüller, T., Distler, A., Egelhaaf, H.-J., Li, N., Chow, P. C. Y., Brabec, C. J., Jen, A. K.-Y., et al. (2022) · Chemical Reviews · doi:10.1021/acs.chemrev.1c00955 · Cited by 1,052
Aggregate Science: From Structures to Properties
Zhang, H., Zhao, Z., Turley, A. T., Wang, L., McGonigal, P. R., Tu, Y., Li, Y., Wang, Z., Kwok, R. T. K., Lam, J. W. Y., et al. (2020) · Advanced Materials · doi:10.1002/adma.202001457 · Cited by 518
Qian, Y., Han, Y., Zhang, X., Yang, G., Zhang, G., & Jiang, H.-L. (2023) · Nature Communications · doi:10.1038/s41467-023-38884-w · Cited by 448
Samadi, M., Sarikhani, N., Zirak, M., Zhang, H., Zhang, H.-L., & Moshfegh, A. Z. (2018) · Nanoscale Horizons · doi:10.1039/c7nh00137a · Cited by 408
Metadata
- Authors
- Bredas, J.-L.
- Venue
- Mater. Horiz.
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2014
- Volume
- 1
- Issue
- 1
- Pages
- 17-19
- ISSN
- 2051-6347 (ISSN-L)
- 2051-6355
- OpenAlex
- W4243725249
- Cited by
- 1,140
- References
- 0
- FWCI
- 34.55
- Type
- journal article
- Language
- en
- Open access
- bronze
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