Developing understanding of organic photovoltaic devices: kinetic Monte Carlo models of geminate and non-geminate recombination, charge transport and charge extraction

Groves, C.

Abstract

This Perspective discusses the physics, implementation and findings of Kinetic Monte Carlo (KMC) models applied to organic photovoltaic devices (OPVs). It is shown that KMC models can relate morphology and energy levels on the nano-scale to geminate and non-geminate recombination, charge transport, charge injection and charge extraction measured in macro-scale OPVs. In particular, KMC investigations probing the circumstances under which geminate recombination is, and is not, a significant loss mechanism in OPVs are reviewed. Furthermore, the mechanisms which yield non-geminate (bimolecular) recombination in OPVs that is both slower than the predictions of Langevin, and charge density dependent, are discussed. It is also shown how KMC models can predict average mobility, as well as spatial heterogeneity and temporal dispersion around this average value in disordered bulk heterojunctions. Finally, it is shown how KMC can be used to quantify the effect of non-ideal electrodes, interlayers and surface wetting layers on OPV performance.

Citation

Groves, C. (2013). Developing understanding of organic photovoltaic devices: kinetic Monte Carlo models of geminate and non-geminate recombination, charge transport and charge extraction. Energy & Environmental Science, 6(11), 3202-3217. https://doi.org/10.1039/c3ee41621f

• Journal Article Type: Article
• Publication Date: Nov 1, 2013
• Deposit Date: Oct 9, 2013
• Journal: Energy & Environmental Science
• Print ISSN: 1754-5692
• Electronic ISSN: 1754-5706
• Publisher: Royal Society of Chemistry
• Peer Reviewed: Peer Reviewed
• Volume: 6
• Issue: 11
• Pages: 3202-3217
• DOI: https://doi.org/10.1039/c3ee41621f
• Public URL: https://durham-repository.worktribe.com/output/1476292