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Title: Electron Affinity of Phenyl-C61-Butyric Acid Methyl Ester (PCBM)

Journal Article · · Journal of Physical Chemistry C, 117(29):14958-14964
DOI:https://doi.org/10.1021/jp403312g· OSTI ID:1092645

The gas-phase electron affinity (EA) of phenyl-C61-butyric acid methyl ester (PCBM), one of the best-performing electron acceptors in organic photovoltaic devices, is measured by lowtemperature photoelectron spectroscopy for the first time. The obtained value of 2.63(1) eV is only ca. 0.05 eV lower than that of C60 (2.68(1) eV), compared to a 0.09 V difference in their E1/2 values measured in this work by cyclic voltammetry. Literature E(LUMO) values for PCBM that are typically estimated from cyclic voltammetry, and commonly used as a quantitative measure of acceptor properties, are dispersed over a wide range between -4.3 and -3.62 eV; the reasons for such a huge discrepancy are analyzed here, and the protocol for reliable and consistent estimations of relative fullerene-based acceptor strength in solution is proposed.

Research Organization:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC05-76RL01830
OSTI ID:
1092645
Report Number(s):
PNNL-SA-96265; 46893; KC0301020
Journal Information:
Journal of Physical Chemistry C, 117(29):14958-14964, Journal Name: Journal of Physical Chemistry C, 117(29):14958-14964
Country of Publication:
United States
Language:
English