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Bond breaking and making in mixed clusters of fullerene and coronene molecules induced by keV-ion impact
Stockholm University, Faculty of Science, Department of Physics.
Stockholm University, Faculty of Science, Department of Physics. Stockholm University, Faculty of Science, Department of Astronomy.ORCID iD: 0000-0003-1028-7976
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Number of Authors: 52024 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 26, no 30, p. 20340-20347Article in journal (Refereed) Published
Abstract [en]

We have performed classical molecular dynamics simulations of 3 keV Ar + (C24H12)n(C60)m collisions where (n,m) = (3,2),(1,4),(9,4) and (2,11). The simulated mass spectra of covalently bound reaction products reproduce the main features of the corresponding experimental results reported by Domaracka et al., Phys. Chem. Chem. Phys., 2018, 20, 15052-15060. The present results support their conclusion that molecular growth is mainly driven by knockout where individual atoms are promptly removed in Rutherford type scattering processes. The so formed highly reactive fragments may then bind with neighboring molecules in the clusters producing a rich variety of growth products extending up to sizes containing several hundreds of atoms, and here we show examples of such structures. In addition, knocked out atoms may be absorbed such that e.g. hydrogenated coronene and fullerene molecules are formed.

Place, publisher, year, edition, pages
2024. Vol. 26, no 30, p. 20340-20347
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Subatomic Physics
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URN: urn:nbn:se:su:diva-238307DOI: 10.1039/d4cp01147cISI: 001268829500001PubMedID: 39015049Scopus ID: 2-s2.0-85199082254OAI: oai:DiVA.org:su-238307DiVA, id: diva2:1930654
Available from: 2025-01-23 Created: 2025-01-23 Last updated: 2025-10-03Bibliographically approved

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Florin, NaemiGatchell, MichaelZettergren, Henning

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