New insights in low-energy electron-fullerene interactions

Msezane, Alfred Z.; Felfli, Zineb

doi:10.1016/j.chemphys.2018.02.005

New insights in low-energy electron-fullerene interactions

Journal Article · Tue Feb 06 00:00:00 EST 2018 · Chemical Physics

DOI:https://doi.org/10.1016/j.chemphys.2018.02.005· OSTI ID:1462687

Msezane, Alfred Z. ^[1]; Felfli, Zineb ^[1]

Clark Atlanta Univ., Atlanta, GA (United States)

The robust Regge-pole methodology has been used to probe for long-lived metastable anionic formation in C_n(n = 20, 24, 26, 28, 44, 70, 92 and 112) through the calculated electron elastic scattering total cross sections (TCSs). All the TCSs are found to be characterized by Ramsauer-Townsend minima, shape resonances and dramatically sharp resonances manifesting metastable anionic formation during the collisions. The energy positions of the anionic ground states resonances are found to match the measured electron affinities (EAs). Here, we also investigated the size-effect through the correlation and polarization induced metastable resonances as the fullerene size varied from C₂₀ through C₁₁₂. The C₂₀ TCSs exhibit atomic behavior while the C₁₁₂ TCSs demonstrate strong departure from atomic behavior attributed to the size effect. Surprisingly C₂₄ is found to have the largest EA among the investigated fullerenes making it suitable for use in organic solar cells and nanocatalysis.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory, Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)

OSTI ID:: 1462687

Journal Information:: Chemical Physics, Journal Name: Chemical Physics Journal Issue: C Vol. 503; ISSN 0301-0104

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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