Bonding character of lithium atoms adsorbed on a graphene layer

Detalhes bibliográficos
Autor(a) principal: Medeiros, P. V. C.
Data de Publicação: 2011
Outros Autores: Mota, F. de B., Mascarenhas, A. J. S., Castilho, Caio Mário Castro de
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://www.repositorio.ufba.br/ri/handle/ri/5489
Resumo: Acesso restrito: Texto completo. p. 529-531.
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spelling Medeiros, P. V. C.Mota, F. de B.Mascarenhas, A. J. S.Castilho, Caio Mário Castro deMedeiros, P. V. C.Mota, F. de B.Mascarenhas, A. J. S.Castilho, Caio Mário Castro de2012-03-02T13:15:52Z20110038-1098http://www.repositorio.ufba.br/ri/handle/ri/5489v. 151, n. 7.Acesso restrito: Texto completo. p. 529-531.This work uses first-principles calculations to investigate the aspects of the bonding character of lithium atoms adsorbed on a graphene layer. The presented results are in contradiction to other results that have recently appeared in the specialized literature, although they confirm some previous claims. In particular, a discussion of the characteristics of the bonding between lithium and carbon atoms and whether they interact via an sp2 or an sp3 hybridization is intended to clarify the problem. It is also found that the carbon–lithium bond is not purely covalent but instead presents a significant ionic character. The local geometry is governed by the π-acceptor character of lithium atoms which occupy reverse positions relative to the carbon atoms as compared to the positions of hydrogen in graphane.Submitted by JURANDI DE SOUZA SILVA (jssufba@hotmail.com) on 2012-03-02T13:15:51Z No. of bitstreams: 1 C__Documents and Settings_rep...t.default_Cache_0_7E_949EBd01.pdf: 122019 bytes, checksum: 6ec1b008f52ec7379df25bf6dcbdb942 (MD5)Made available in DSpace on 2012-03-02T13:15:52Z (GMT). No. of bitstreams: 1 C__Documents and Settings_rep...t.default_Cache_0_7E_949EBd01.pdf: 122019 bytes, checksum: 6ec1b008f52ec7379df25bf6dcbdb942 (MD5) Previous issue date: 2011DOI: 10.1016/j.ssc.2011.01.023reponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBAA. GrapheneA. LithiumD. 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dc.title.pt_BR.fl_str_mv Bonding character of lithium atoms adsorbed on a graphene layer
dc.title.alternative.pt_BR.fl_str_mv Solid State Communications
title Bonding character of lithium atoms adsorbed on a graphene layer
spellingShingle Bonding character of lithium atoms adsorbed on a graphene layer
Medeiros, P. V. C.
A. Graphene
A. Lithium
D. Adsorption
title_short Bonding character of lithium atoms adsorbed on a graphene layer
title_full Bonding character of lithium atoms adsorbed on a graphene layer
title_fullStr Bonding character of lithium atoms adsorbed on a graphene layer
title_full_unstemmed Bonding character of lithium atoms adsorbed on a graphene layer
title_sort Bonding character of lithium atoms adsorbed on a graphene layer
author Medeiros, P. V. C.
author_facet Medeiros, P. V. C.
Mota, F. de B.
Mascarenhas, A. J. S.
Castilho, Caio Mário Castro de
author_role author
author2 Mota, F. de B.
Mascarenhas, A. J. S.
Castilho, Caio Mário Castro de
author2_role author
author
author
dc.contributor.author.fl_str_mv Medeiros, P. V. C.
Mota, F. de B.
Mascarenhas, A. J. S.
Castilho, Caio Mário Castro de
Medeiros, P. V. C.
Mota, F. de B.
Mascarenhas, A. J. S.
Castilho, Caio Mário Castro de
dc.subject.por.fl_str_mv A. Graphene
A. Lithium
D. Adsorption
topic A. Graphene
A. Lithium
D. Adsorption
description Acesso restrito: Texto completo. p. 529-531.
publishDate 2011
dc.date.issued.fl_str_mv 2011
dc.date.accessioned.fl_str_mv 2012-03-02T13:15:52Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://www.repositorio.ufba.br/ri/handle/ri/5489
dc.identifier.issn.none.fl_str_mv 0038-1098
dc.identifier.number.pt_BR.fl_str_mv v. 151, n. 7.
identifier_str_mv 0038-1098
v. 151, n. 7.
url http://www.repositorio.ufba.br/ri/handle/ri/5489
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.source.pt_BR.fl_str_mv DOI: 10.1016/j.ssc.2011.01.023
dc.source.none.fl_str_mv reponame:Repositório Institucional da UFBA
instname:Universidade Federal da Bahia (UFBA)
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