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Title: New insights in low-energy electron-fullerene interactions

Abstract

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). We also investigated the size-effect through the correlation and polarization induced metastable resonances as the fullerene size varied from C 20 through C 112. The C 20 TCSs exhibit atomic behavior while the C 112 TCSs demonstrate strong departure from atomic behavior attributed to the size effect. Surprisingly C 24 is found to have the largest EA among the investigated fullerenes making it suitable for use in organic solar cells and nanocatalysis.

Authors:
 [1];  [1]
  1. Clark Atlanta University, Atlanta, GA (United States). Department of Physics and Centre for Theoretical Studies of Physical Systems
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory, Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC).
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division
OSTI Identifier:
1462687
Resource Type:
Journal Article
Journal Name:
Chemical Physics
Additional Journal Information:
Journal Volume: 503; Journal Issue: C; Journal ID: ISSN 0301-0104
Publisher:
Elsevier
Country of Publication:
United States
Language:
English

Citation Formats

Msezane, Alfred Z., and Felfli, Zineb. New insights in low-energy electron-fullerene interactions. United States: N. p., 2018. Web. doi:10.1016/j.chemphys.2018.02.005.
Msezane, Alfred Z., & Felfli, Zineb. New insights in low-energy electron-fullerene interactions. United States. doi:10.1016/j.chemphys.2018.02.005.
Msezane, Alfred Z., and Felfli, Zineb. Thu . "New insights in low-energy electron-fullerene interactions". United States. doi:10.1016/j.chemphys.2018.02.005.
@article{osti_1462687,
title = {New insights in low-energy electron-fullerene interactions},
author = {Msezane, Alfred Z. and Felfli, Zineb},
abstractNote = {The robust Regge-pole methodology has been used to probe for long-lived metastable anionic formation in Cn(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). 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.},
doi = {10.1016/j.chemphys.2018.02.005},
journal = {Chemical Physics},
issn = {0301-0104},
number = C,
volume = 503,
place = {United States},
year = {2018},
month = {3}
}