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Article: Structural stability and electronic, magnetic properties of Ge adsorption on defected graphene: A first-principles study

TitleStructural stability and electronic, magnetic properties of Ge adsorption on defected graphene: A first-principles study
Authors
Dai, XLi, YXie, MHu, GZhao, JZhao, B
KeywordsC atoms
Electronic and magnetic properties
First-principles study
Ge atom
Orbital electrons
Issue Date2011
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/physe
Citation
Physica E: Low-Dimensional Systems And Nanostructures, 2011, v. 43 n. 8, p. 1461-1464 How to Cite?
DOI: http://dx.doi.org/10.1016/j.physe.2011.04.006
AbstractIn this paper, the stable configuration and the electronic and magnetic properties of Ge adsorption on defected graphene are studied by first-principles calculations. The vacancy defect induced magnetism in graphene depends upon the characteristics of covalent bonding between C atoms near the vacancy site. Substitutional boron can hole-dope graphene while nitrogen electron-dopes graphene. Therefore, the electronic properties of graphene are changed by B or N doping, turning graphene into a metal. However, substitutional B and N do not induce magnetism in graphene. On the other hand, vacancy and substitutional B defects enhance Ge adsorption on graphene, though N doping seems to have little effect on Ge adsorption. Net magnetic moments are induced in Ge-adsorbed graphene (GeB-doped and GeN-doped graphene), which is caused mainly by the p orbital electrons of Ge atom. No magnetic moment is found when Ge is adsorbed on vacancy-containing graphene. © 2011 Elsevier B.V. All Rights Reserved.
Persistent Identifierhttp://hdl.handle.net/10722/135374
ISSN
1386-9477
2021 Impact Factor: 3.369
2020 SCImago Journal Rankings: 0.581
ISI Accession Number ID
WOS:000292122100010
Funding AgencyGrant Number
National Natural Science Foundation of China (NSFC)11047026
Henan Science and Technology Innovation Talent Support Program2008HASTIT030
NSFC/RGCHKU705/07
Funding Information:

This work is supported by a Grant from the National Natural Science Foundation of China (NSFC) under the Grant no. 11047026 and by Henan Science and Technology Innovation Talent Support Program (2008HASTIT030). MHX acknowledges the support from the NSFC/RGC joint research scheme (no. HKU705/07).

References
References in Scopus

 

DC FieldValueLanguage
dc.contributor.authorDai, Xen_HK
dc.contributor.authorLi, Yen_HK
dc.contributor.authorXie, Men_HK
dc.contributor.authorHu, Gen_HK
dc.contributor.authorZhao, Jen_HK
dc.contributor.authorZhao, Ben_HK
dc.date.accessioned2011-07-27T01:34:15Z-
dc.date.available2011-07-27T01:34:15Z-
dc.date.issued2011en_HK
dc.identifier.citationPhysica E: Low-Dimensional Systems And Nanostructures, 2011, v. 43 n. 8, p. 1461-1464en_HK
dc.identifier.issn1386-9477en_HK
dc.identifier.urihttp://hdl.handle.net/10722/135374-
dc.description.abstractIn this paper, the stable configuration and the electronic and magnetic properties of Ge adsorption on defected graphene are studied by first-principles calculations. The vacancy defect induced magnetism in graphene depends upon the characteristics of covalent bonding between C atoms near the vacancy site. Substitutional boron can hole-dope graphene while nitrogen electron-dopes graphene. Therefore, the electronic properties of graphene are changed by B or N doping, turning graphene into a metal. However, substitutional B and N do not induce magnetism in graphene. On the other hand, vacancy and substitutional B defects enhance Ge adsorption on graphene, though N doping seems to have little effect on Ge adsorption. Net magnetic moments are induced in Ge-adsorbed graphene (GeB-doped and GeN-doped graphene), which is caused mainly by the p orbital electrons of Ge atom. No magnetic moment is found when Ge is adsorbed on vacancy-containing graphene. © 2011 Elsevier B.V. All Rights Reserved.en_HK
dc.languageengen_US
dc.publisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/physeen_HK
dc.relation.ispartofPhysica E: Low-Dimensional Systems and Nanostructuresen_HK
dc.subjectC atoms-
dc.subjectElectronic and magnetic properties-
dc.subjectFirst-principles study-
dc.subjectGe atom-
dc.subjectOrbital electrons-
dc.titleStructural stability and electronic, magnetic properties of Ge adsorption on defected graphene: A first-principles studyen_HK
dc.typeArticleen_HK
dc.identifier.emailXie, M: mhxie@hku.hken_HK
dc.identifier.authorityXie, M=rp00818en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1016/j.physe.2011.04.006en_HK
dc.identifier.scopuseid_2-s2.0-79957584619en_HK
dc.identifier.hkuros186877en_US
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-79957584619&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume43en_HK
dc.identifier.issue8en_HK
dc.identifier.spage1461en_HK
dc.identifier.epage1464en_HK
dc.identifier.isiWOS:000292122100010-
dc.publisher.placeNetherlandsen_HK
dc.identifier.scopusauthoridDai, X=7201696526en_HK
dc.identifier.scopusauthoridLi, Y=37110847900en_HK
dc.identifier.scopusauthoridXie, M=7202255416en_HK
dc.identifier.scopusauthoridHu, G=39861534100en_HK
dc.identifier.scopusauthoridZhao, J=39862398600en_HK
dc.identifier.scopusauthoridZhao, B=19934548000en_HK
dc.identifier.citeulike9233756-
dc.identifier.issnl1386-9477-

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