Hydrogen ion scattering from a potassium impurity adsorbed on graphene

Autores
Romero, Marcelo Ariel; Iglesias García, Adalberto de Jesús; García, Evelina Andrea; Goldberg, Edith Catalina
Año de publicación
2019
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this work we study the charge exchange process in the scattering of protons by potassium atoms adsorbed on a graphene surface in a low coverage limit. Both, the projected density of states on the alkaline atom site and the final charge states of the hydrogen projectile are calculated by considering the electronic Coulomb repulsion in the s-valence orbital. The inner 3p and 3s states of potassium are included and the local perturbations of the density matrix on the surrounding C atoms are also considered. The interacting systems are described by an Anderson Hamiltonian whose terms are calculated from the chemical properties of the atoms and the extended features of the graphene surface. The positive and negative ion fractions of hydrogen in the collision process are obtained from Keldysh-Green functions, which are calculated by employing the equation of motion method closed up to a second order in the atom-surface coupling term. It is found that the carbon atoms have nopossibility of a direct charge exchange process in a frontal collision of the proton with the K adatom, and that the K-3p band, broadened by the interaction with the graphene surface, provides an important source of electrons for the negative ionization of hydrogen, which is also promoted by the presence of a K-3s core state. The narrow 4s and 3p bands of the adsorbed potassium lead to an oscillatory dependence with the projectile incoming energy, of the probability for the three correlated charge states of hydrogen.
Fil: Romero, Marcelo Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; Argentina
Fil: Iglesias García, Adalberto de Jesús. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; Argentina
Fil: García, Evelina Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; Argentina
Fil: Goldberg, Edith Catalina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; Argentina
Materia
ION SCATTERING
ADSORPTION
GRAPHENE
ELECTRONIC CORRELATION
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/110981
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/110981
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Hydrogen ion scattering from a potassium impurity adsorbed on grapheneRomero, Marcelo ArielIglesias García, Adalberto de JesúsGarcía, Evelina AndreaGoldberg, Edith CatalinaION SCATTERINGADSORPTIONGRAPHENEELECTRONIC CORRELATIONhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1In this work we study the charge exchange process in the scattering of protons by potassium atoms adsorbed on a graphene surface in a low coverage limit. Both, the projected density of states on the alkaline atom site and the final charge states of the hydrogen projectile are calculated by considering the electronic Coulomb repulsion in the s-valence orbital. The inner 3p and 3s states of potassium are included and the local perturbations of the density matrix on the surrounding C atoms are also considered. The interacting systems are described by an Anderson Hamiltonian whose terms are calculated from the chemical properties of the atoms and the extended features of the graphene surface. The positive and negative ion fractions of hydrogen in the collision process are obtained from Keldysh-Green functions, which are calculated by employing the equation of motion method closed up to a second order in the atom-surface coupling term. It is found that the carbon atoms have nopossibility of a direct charge exchange process in a frontal collision of the proton with the K adatom, and that the K-3p band, broadened by the interaction with the graphene surface, provides an important source of electrons for the negative ionization of hydrogen, which is also promoted by the presence of a K-3s core state. The narrow 4s and 3p bands of the adsorbed potassium lead to an oscillatory dependence with the projectile incoming energy, of the probability for the three correlated charge states of hydrogen.Fil: Romero, Marcelo Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; ArgentinaFil: Iglesias García, Adalberto de Jesús. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; ArgentinaFil: García, Evelina Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; ArgentinaFil: Goldberg, Edith Catalina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; ArgentinaAmerican Physical Society2019-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/110981Romero, Marcelo Ariel; Iglesias García, Adalberto de Jesús; García, Evelina Andrea; Goldberg, Edith Catalina; Hydrogen ion scattering from a potassium impurity adsorbed on graphene; American Physical Society; Physical Review B; 100; 8; 8-2019; 1-152469-9950CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://link.aps.org/doi/10.1103/PhysRevB.100.085432info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.100.085432info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:10:23Zoai:ri.conicet.gov.ar:11336/110981instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 10:10:24.182CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Hydrogen ion scattering from a potassium impurity adsorbed on graphene
title Hydrogen ion scattering from a potassium impurity adsorbed on graphene
spellingShingle Hydrogen ion scattering from a potassium impurity adsorbed on graphene
Romero, Marcelo Ariel
ION SCATTERING
ADSORPTION
GRAPHENE
ELECTRONIC CORRELATION
title_short Hydrogen ion scattering from a potassium impurity adsorbed on graphene
title_full Hydrogen ion scattering from a potassium impurity adsorbed on graphene
title_fullStr Hydrogen ion scattering from a potassium impurity adsorbed on graphene
title_full_unstemmed Hydrogen ion scattering from a potassium impurity adsorbed on graphene
title_sort Hydrogen ion scattering from a potassium impurity adsorbed on graphene
dc.creator.none.fl_str_mv Romero, Marcelo Ariel
Iglesias García, Adalberto de Jesús
García, Evelina Andrea
Goldberg, Edith Catalina
author Romero, Marcelo Ariel
author_facet Romero, Marcelo Ariel
Iglesias García, Adalberto de Jesús
García, Evelina Andrea
Goldberg, Edith Catalina
author_role author
author2 Iglesias García, Adalberto de Jesús
García, Evelina Andrea
Goldberg, Edith Catalina
author2_role author
author
author
dc.subject.none.fl_str_mv ION SCATTERING
ADSORPTION
GRAPHENE
ELECTRONIC CORRELATION
topic ION SCATTERING
ADSORPTION
GRAPHENE
ELECTRONIC CORRELATION
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In this work we study the charge exchange process in the scattering of protons by potassium atoms adsorbed on a graphene surface in a low coverage limit. Both, the projected density of states on the alkaline atom site and the final charge states of the hydrogen projectile are calculated by considering the electronic Coulomb repulsion in the s-valence orbital. The inner 3p and 3s states of potassium are included and the local perturbations of the density matrix on the surrounding C atoms are also considered. The interacting systems are described by an Anderson Hamiltonian whose terms are calculated from the chemical properties of the atoms and the extended features of the graphene surface. The positive and negative ion fractions of hydrogen in the collision process are obtained from Keldysh-Green functions, which are calculated by employing the equation of motion method closed up to a second order in the atom-surface coupling term. It is found that the carbon atoms have nopossibility of a direct charge exchange process in a frontal collision of the proton with the K adatom, and that the K-3p band, broadened by the interaction with the graphene surface, provides an important source of electrons for the negative ionization of hydrogen, which is also promoted by the presence of a K-3s core state. The narrow 4s and 3p bands of the adsorbed potassium lead to an oscillatory dependence with the projectile incoming energy, of the probability for the three correlated charge states of hydrogen.
Fil: Romero, Marcelo Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; Argentina
Fil: Iglesias García, Adalberto de Jesús. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; Argentina
Fil: García, Evelina Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; Argentina
Fil: Goldberg, Edith Catalina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Física del Litoral. Universidad Nacional del Litoral. Instituto de Física del Litoral; Argentina
description In this work we study the charge exchange process in the scattering of protons by potassium atoms adsorbed on a graphene surface in a low coverage limit. Both, the projected density of states on the alkaline atom site and the final charge states of the hydrogen projectile are calculated by considering the electronic Coulomb repulsion in the s-valence orbital. The inner 3p and 3s states of potassium are included and the local perturbations of the density matrix on the surrounding C atoms are also considered. The interacting systems are described by an Anderson Hamiltonian whose terms are calculated from the chemical properties of the atoms and the extended features of the graphene surface. The positive and negative ion fractions of hydrogen in the collision process are obtained from Keldysh-Green functions, which are calculated by employing the equation of motion method closed up to a second order in the atom-surface coupling term. It is found that the carbon atoms have nopossibility of a direct charge exchange process in a frontal collision of the proton with the K adatom, and that the K-3p band, broadened by the interaction with the graphene surface, provides an important source of electrons for the negative ionization of hydrogen, which is also promoted by the presence of a K-3s core state. The narrow 4s and 3p bands of the adsorbed potassium lead to an oscillatory dependence with the projectile incoming energy, of the probability for the three correlated charge states of hydrogen.
publishDate 2019
dc.date.none.fl_str_mv 2019-08
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/110981
Romero, Marcelo Ariel; Iglesias García, Adalberto de Jesús; García, Evelina Andrea; Goldberg, Edith Catalina; Hydrogen ion scattering from a potassium impurity adsorbed on graphene; American Physical Society; Physical Review B; 100; 8; 8-2019; 1-15
2469-9950
CONICET Digital
CONICET
url http://hdl.handle.net/11336/110981
identifier_str_mv Romero, Marcelo Ariel; Iglesias García, Adalberto de Jesús; García, Evelina Andrea; Goldberg, Edith Catalina; Hydrogen ion scattering from a potassium impurity adsorbed on graphene; American Physical Society; Physical Review B; 100; 8; 8-2019; 1-15
2469-9950
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://link.aps.org/doi/10.1103/PhysRevB.100.085432
info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.100.085432
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.13397

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