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Article: Structural stability and electronic, magnetic properties of Ge adsorption on defected graphene: A first-principles study
Title | Structural stability and electronic, magnetic properties of Ge adsorption on defected graphene: A first-principles study | ||||||||
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Authors | |||||||||
Keywords | C atoms Electronic and magnetic properties First-principles study Ge atom Orbital electrons | ||||||||
Issue Date | 2011 | ||||||||
Publisher | Elsevier 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? | ||||||||
Abstract | In 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 Identifier | http://hdl.handle.net/10722/135374 | ||||||||
ISSN | 2023 Impact Factor: 2.9 2023 SCImago Journal Rankings: 0.529 | ||||||||
ISI Accession Number ID |
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 |
DC Field | Value | Language |
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dc.contributor.author | Dai, X | en_HK |
dc.contributor.author | Li, Y | en_HK |
dc.contributor.author | Xie, M | en_HK |
dc.contributor.author | Hu, G | en_HK |
dc.contributor.author | Zhao, J | en_HK |
dc.contributor.author | Zhao, B | en_HK |
dc.date.accessioned | 2011-07-27T01:34:15Z | - |
dc.date.available | 2011-07-27T01:34:15Z | - |
dc.date.issued | 2011 | en_HK |
dc.identifier.citation | Physica E: Low-Dimensional Systems And Nanostructures, 2011, v. 43 n. 8, p. 1461-1464 | en_HK |
dc.identifier.issn | 1386-9477 | en_HK |
dc.identifier.uri | http://hdl.handle.net/10722/135374 | - |
dc.description.abstract | In 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.language | eng | en_US |
dc.publisher | Elsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/physe | en_HK |
dc.relation.ispartof | Physica E: Low-Dimensional Systems and Nanostructures | en_HK |
dc.subject | C atoms | - |
dc.subject | Electronic and magnetic properties | - |
dc.subject | First-principles study | - |
dc.subject | Ge atom | - |
dc.subject | Orbital electrons | - |
dc.title | Structural stability and electronic, magnetic properties of Ge adsorption on defected graphene: A first-principles study | en_HK |
dc.type | Article | en_HK |
dc.identifier.email | Xie, M: mhxie@hku.hk | en_HK |
dc.identifier.authority | Xie, M=rp00818 | en_HK |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1016/j.physe.2011.04.006 | en_HK |
dc.identifier.scopus | eid_2-s2.0-79957584619 | en_HK |
dc.identifier.hkuros | 186877 | en_US |
dc.relation.references | http://www.scopus.com/mlt/select.url?eid=2-s2.0-79957584619&selection=ref&src=s&origin=recordpage | en_HK |
dc.identifier.volume | 43 | en_HK |
dc.identifier.issue | 8 | en_HK |
dc.identifier.spage | 1461 | en_HK |
dc.identifier.epage | 1464 | en_HK |
dc.identifier.isi | WOS:000292122100010 | - |
dc.publisher.place | Netherlands | en_HK |
dc.identifier.scopusauthorid | Dai, X=7201696526 | en_HK |
dc.identifier.scopusauthorid | Li, Y=37110847900 | en_HK |
dc.identifier.scopusauthorid | Xie, M=7202255416 | en_HK |
dc.identifier.scopusauthorid | Hu, G=39861534100 | en_HK |
dc.identifier.scopusauthorid | Zhao, J=39862398600 | en_HK |
dc.identifier.scopusauthorid | Zhao, B=19934548000 | en_HK |
dc.identifier.citeulike | 9233756 | - |
dc.identifier.issnl | 1386-9477 | - |