Energy Loss in Organic Photovoltaics: Nonfullerene Versus Fullerene Acceptors

Liu, Xiao; Li, Yongxi; Ding, Kan; Forrest, Stephen

doi:10.1103/physrevapplied.11.024060

Title: Energy Loss in Organic Photovoltaics: Nonfullerene Versus Fullerene Acceptors

Journal Article · Mon Feb 25 00:00:00 EST 2019 · Physical Review Applied

DOI:https://doi.org/10.1103/physrevapplied.11.024060· OSTI ID:1613366

Liu, Xiao ^[1]; Li, Yongxi ^[1]; Ding, Kan ^[1]; Forrest, Stephen ^[1]

Univ. of Michigan, Ann Arbor, MI (United States)

The energy loss experienced by organic photovoltaics (OPVs) is the difference between the lowest photogenerated exciton energy of a donor or acceptor and the open circuit energy. It sets a fundamental limit to the open-circuit voltage and hence the efficiency of OPVs. This loss can be as large as 0.7 eV for fullerene acceptors, although nonfullerene acceptors (NFAs) reduce this to ≤0.6 eV. Here, we systematically quantify the relationship between charge transfer energy loss (ΔE_CT), nonradiative recombination loss, exciton binding energy, and intra- and intermolecular electron-phonon couplings. Density functional theory and comprehensive quantum mechanical modeling are used to associate molecular volume, effective conjugation length, and the nonbonding character of molecules to these types of energy losses. Nonradiative recombination in donor-NFA heterojunctions is quantified by the charge transfer state emission quantum yield and its Frank-Condon shift. Our analytical results are consistent with measurements where ΔE_CT is varied between 0 and 0.6 eV using a variety of fullerene derivatives and thiophene-based NFAs paired with donor molecules. Furthermore, molecular design rules to decrease the energy loss in OPVs derived from our analysis are provided.

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Research Organization:: Univ. of Michigan, Ann Arbor, MI (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

Grant/Contract Number:: EE0006708

OSTI ID:: 1613366

Journal Information:: Physical Review Applied, Vol. 11, Issue 2; ISSN 2331-7019

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 67 works

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Title: Energy Loss in Organic Photovoltaics: Nonfullerene Versus Fullerene Acceptors

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