Charge Transfer in Molecular Materials
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Charge transport in materials has an impact on a wide range of devices – LEDs, PVs, batteries, fuel cells, circuits, and sensors all prominently exploit charge transfer characteristics of the underlying materials. As material design becomes more sophisticated, molecular components are playing a larger role in these applications, so that an understanding of charge migration in molecular systems is increasingly relevant. Here, we present a concise review of the principles of charge transfer in molecular materials. After a brief summary of the key concepts of Marcus theory, we discuss the key molecular and material properties that influence charge transfer and how they can be accounted for. Using organic PV and LED materials as a case study, we illustrate how these concepts can be used to better understand the microscopic properties that underpin device function in real devices.
This work was supported by a grant from the US Department of Energy, office of Basis Energy Sciences (Award No. DE-FG02-07ER46474).
- de Silva P, Van Voorhis T (2018) QM/MM study of static and dynamic energetic disorder in the emission layer of an organic light-emitting diode. J Phys Chem Lett 1329–1334. https://doi.org/10.1021/acs.jpclett.8b00040
- Ishii H, Sugiyama K, Ito E, Seki K (1999) Energy level alignment and interfacial electronic structures at organic/metal and organic/organic interfaces. Adv Mater 11:605–625. https://doi.org/10.1002/(SICI)1521-4095(199906)11:8<605::AID-ADMA605>3.0.CO;2-QCrossRefGoogle Scholar
- Kittel C (2005) Introduction to solid state physics, 8th edn. Wiley, HobokenGoogle Scholar
- Marcus RA (1964) Chemical and electrochemical electron-transfer theory. Annu Rev Phys Chem 15:155–196. https://doi.org/10.1146/annurev.pc.15.100164.001103ADSCrossRefGoogle Scholar
- Van Voorhis T, Kowalczyk T, Kaduk B et al (2010) The diabatic picture of electron transfer, reaction barriers, and molecular dynamics. Annu Rev Phys Chem 61:149–170. https://doi.org/10.1146/annurev.physchem.012809.103324CrossRefGoogle Scholar
- Yost SR, Hontz E, McMahon DP, Van Voorhis T (2014) Electronic and optical properties at organic/organic interfaces in organic solar cells. In: Multiscale modelling of organic and hybrid photovoltaics. Topics in current chemistry, Beljonne D, Cornil J (eds), vol 352. Springer, Berlin Heidelberg, pp 103–150Google Scholar