Ionization potentials, dissociation energies and statistical fragmentation of neutral and positively charged small carbon clusters

Detalhes bibliográficos
Autor(a) principal: Díaz-Tendero,S.
Data de Publicação: 2006
Outros Autores: Sánchez,G., Hervieux,P.-A., Alcamí,M., Martín,F.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Brazilian Journal of Physics
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332006000400009
Resumo: Dissociation energies, ionization potentials and fragmentation dynamics of neutral, singly- and doubly charged small carbon clusters have been theoretically studied with a combination of the density functional theory, the coupled cluster method and the the statistical model microcanonical Metropolis Monte Carlo. The second ionization potential decreases with the cluster size and is larger than the first one, which also decreases with the size showing oscillations. Dissociation energies also oscillate with the cluster size, being those with an odd number of atoms more stable. C3 cluster has the largest dissociation energy. The combination of a statistical treatment for the cluster fragmentation with experimental results has allowed us to evaluate the energy distribution in collisions experiments.
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spelling Ionization potentials, dissociation energies and statistical fragmentation of neutral and positively charged small carbon clustersCarbon clustersFragmentationDissociation energy and ionization potentialDissociation energies, ionization potentials and fragmentation dynamics of neutral, singly- and doubly charged small carbon clusters have been theoretically studied with a combination of the density functional theory, the coupled cluster method and the the statistical model microcanonical Metropolis Monte Carlo. The second ionization potential decreases with the cluster size and is larger than the first one, which also decreases with the size showing oscillations. Dissociation energies also oscillate with the cluster size, being those with an odd number of atoms more stable. C3 cluster has the largest dissociation energy. The combination of a statistical treatment for the cluster fragmentation with experimental results has allowed us to evaluate the energy distribution in collisions experiments.Sociedade Brasileira de Física2006-06-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332006000400009Brazilian Journal of Physics v.36 n.2b 2006reponame:Brazilian Journal of Physicsinstname:Sociedade Brasileira de Física (SBF)instacron:SBF10.1590/S0103-97332006000400009info:eu-repo/semantics/openAccessDíaz-Tendero,S.Sánchez,G.Hervieux,P.-A.Alcamí,M.Martín,F.eng2006-07-31T00:00:00Zoai:scielo:S0103-97332006000400009Revistahttp://www.sbfisica.org.br/v1/home/index.php/pt/ONGhttps://old.scielo.br/oai/scielo-oai.phpsbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br1678-44480103-9733opendoar:2006-07-31T00:00Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)false
dc.title.none.fl_str_mv Ionization potentials, dissociation energies and statistical fragmentation of neutral and positively charged small carbon clusters
title Ionization potentials, dissociation energies and statistical fragmentation of neutral and positively charged small carbon clusters
spellingShingle Ionization potentials, dissociation energies and statistical fragmentation of neutral and positively charged small carbon clusters
Díaz-Tendero,S.
Carbon clusters
Fragmentation
Dissociation energy and ionization potential
title_short Ionization potentials, dissociation energies and statistical fragmentation of neutral and positively charged small carbon clusters
title_full Ionization potentials, dissociation energies and statistical fragmentation of neutral and positively charged small carbon clusters
title_fullStr Ionization potentials, dissociation energies and statistical fragmentation of neutral and positively charged small carbon clusters
title_full_unstemmed Ionization potentials, dissociation energies and statistical fragmentation of neutral and positively charged small carbon clusters
title_sort Ionization potentials, dissociation energies and statistical fragmentation of neutral and positively charged small carbon clusters
author Díaz-Tendero,S.
author_facet Díaz-Tendero,S.
Sánchez,G.
Hervieux,P.-A.
Alcamí,M.
Martín,F.
author_role author
author2 Sánchez,G.
Hervieux,P.-A.
Alcamí,M.
Martín,F.
author2_role author
author
author
author
dc.contributor.author.fl_str_mv Díaz-Tendero,S.
Sánchez,G.
Hervieux,P.-A.
Alcamí,M.
Martín,F.
dc.subject.por.fl_str_mv Carbon clusters
Fragmentation
Dissociation energy and ionization potential
topic Carbon clusters
Fragmentation
Dissociation energy and ionization potential
description Dissociation energies, ionization potentials and fragmentation dynamics of neutral, singly- and doubly charged small carbon clusters have been theoretically studied with a combination of the density functional theory, the coupled cluster method and the the statistical model microcanonical Metropolis Monte Carlo. The second ionization potential decreases with the cluster size and is larger than the first one, which also decreases with the size showing oscillations. Dissociation energies also oscillate with the cluster size, being those with an odd number of atoms more stable. C3 cluster has the largest dissociation energy. The combination of a statistical treatment for the cluster fragmentation with experimental results has allowed us to evaluate the energy distribution in collisions experiments.
publishDate 2006
dc.date.none.fl_str_mv 2006-06-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332006000400009
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332006000400009
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S0103-97332006000400009
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Física
publisher.none.fl_str_mv Sociedade Brasileira de Física
dc.source.none.fl_str_mv Brazilian Journal of Physics v.36 n.2b 2006
reponame:Brazilian Journal of Physics
instname:Sociedade Brasileira de Física (SBF)
instacron:SBF
instname_str Sociedade Brasileira de Física (SBF)
instacron_str SBF
institution SBF
reponame_str Brazilian Journal of Physics
collection Brazilian Journal of Physics
repository.name.fl_str_mv Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)
repository.mail.fl_str_mv sbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br
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