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Threshold Energies for Single-Carbon Knockout from Polycyclic Aromatic Hydrocarbons
Version 2 2015-12-17, 10:44
Version 1 2015-11-20, 12:04
journal contribution
posted on 2015-12-17, 10:44 authored by M. H. Stockett, M. Gatchell, T. Chen, N. de Ruette, L. Giacomozzi, M. Wolf, H. T. Schmidt, H. Zettergren, H. CederquistWe
have measured absolute cross sections for ultrafast (femtosecond)
single-carbon knockout from polycyclic aromatic hydrocarbon (PAH)
cations as functions of He–PAH
center-of-mass collision energy in the 10–200 eV range. Classical
molecular dynamics (MD) simulations cover this range and extend up
to 105 eV. The shapes of the knockout cross sections are
well-described by a simple analytical expression yielding experimental
and MD threshold energies of EthExp = 32.5 ± 0.4 eV and EthMD = 41.0 ± 0.3 eV, respectively. These are the first measurements
of knockout threshold energies for molecules isolated in vacuo. We
further deduce semiempirical (SE) and MD displacement energies, i.e.,
the energy transfers to the PAH molecules at the threshold energies
for knockout, of TdispSE = 23.3 ± 0.3 eV and TdispMD = 27.0
± 0.3 eV. The semiempirical results compare favorably with measured
displacement energies for graphene (Tdisp = 23.6 eV).