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Molecular dynamics study of fullerite cross-linking under keV C 60 and Arn cluster bombardment
Universite Catholique de Louvain, Institute of Condensed Matter and Nanosciences - Bio and Soft Matter, Louvain-la-Neuve.
Universite Catholique de Louvain, Institute of Condensed Matter and Nanosciences - Bio and Soft Matter, Louvain-la-Neuve.
2013 (Engelska)Ingår i: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 117, nr 7, s. 3595-3604Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

Molecular dynamics computer simulations are used to elucidate the cross-linking processes induced by 0.6-50 keV C60 and Arn cluster bombardment in a C60 fullerite solid sample. The obtained results indicate the presence of a "chemical effect" when C 60 projectile is used. Namely, the bombarding C60 delivers additional, highly reactive, radicals which interact with the atoms of the fullerite sample, increasing the efficiency of the cross-linking process. The omission of those interactions in the analysis makes the C60 very similar to the case of the Ar18 bombardment. For Arn cluster bombardment, the initial energy per atom in the projectile is the parameter which has the predominant influence on the cross-linking process. Furthermore, a relationship between the energy thresholds for fragmentation of the target molecules and cross-linking initiation and the size of the Ar clusters is observed. Both of these thresholds decrease with increasing size of the projectile.

Ort, förlag, år, upplaga, sidor
2013. Vol. 117, nr 7, s. 3595-3604
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URN: urn:nbn:se:ltu:diva-8381DOI: 10.1021/jp310635gISI: 000315432100046Scopus ID: 2-s2.0-84874157895Lokalt ID: 6e3e372c-47b0-4a91-ac37-815836f27e42OAI: oai:DiVA.org:ltu-8381DiVA, id: diva2:981273
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Upprättat; 2013; 20151112 (inah)Tillgänglig från: 2016-09-29 Skapad: 2016-09-29 Senast uppdaterad: 2023-05-08Bibliografiskt granskad

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Czerwinski, Bartlomiej

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