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Article: The roles of apex dipoles and field penetration in the physics of charged, field emitting, single-walled carbon nanotubes

TitleThe roles of apex dipoles and field penetration in the physics of charged, field emitting, single-walled carbon nanotubes
Authors
Issue Date2008
PublisherAmerican Institute of Physics. The Journal's web site is located at http://jap.aip.org/jap/staff.jsp
Citation
Journal Of Applied Physics, 2008, v. 104 n. 1, p. 014310 How to Cite?
AbstractA 1 μm long, field emitting, (5, 5) single-walled carbon nanotube (SWCNT) closed with a fullerene cap, and a similar open nanotube with hydrogen-atom termination, have been simulated using the modified neglect of diatomic overlap quantum-mechanical method. Both contain about 80 000 atoms. It is found that field penetration and band bending, and various forms of chemically and electrically induced apex dipole play roles. Field penetration may help explain electroluminescence associated with field emitting CNTs. Charge-density oscillations, induced by the hydrogen adsorption, are also found. Many of the effects can be related to known effects that occur with metallic or semiconductor field emitters; this helps both to explain the effects and to unify our knowledge about FE emitters. However, it is currently unclear how best to treat correlation-and-exchange effects when defining the CNT emission barrier. A new form of definition for the field enhancement factor (FEF) is used. Predicted FEF values for these SWCNTs are significantly less than values predicted by simple classical formulae. The FEF for the closed SWCNT decreases with applied field; the FEF for the H-terminated open SWCNT is less than the FEF for the closed SWCNT but increases with applied field. Physical explanations for this behavior are proposed but the concept of FEF is clearly problematical for CNTs. Curved Fowler-Nordheim plots are predicted. Overall, the predicted field emission performance of the H-terminated open SWCNT is slightly better than that of the closed SWCNT, essentially because a C-H dipole is formed that reduces the height of the tunneling barrier. In general, the physics of a charged SWCNT seems much more complex than hitherto realized. © 2008 American Institute of Physics.
Persistent Identifierhttp://hdl.handle.net/10722/58431
ISSN
2015 Impact Factor: 2.101
2015 SCImago Journal Rankings: 0.603
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorPeng, Jen_HK
dc.contributor.authorLi, Zen_HK
dc.contributor.authorHe, Cen_HK
dc.contributor.authorChen, Gen_HK
dc.contributor.authorWang, Wen_HK
dc.contributor.authorDeng, Sen_HK
dc.contributor.authorXu, Nen_HK
dc.contributor.authorZheng, Xen_HK
dc.contributor.authorChen, Gen_HK
dc.contributor.authorEdgcombe, CJen_HK
dc.contributor.authorForbes, RGen_HK
dc.date.accessioned2010-05-31T03:30:10Z-
dc.date.available2010-05-31T03:30:10Z-
dc.date.issued2008en_HK
dc.identifier.citationJournal Of Applied Physics, 2008, v. 104 n. 1, p. 014310en_HK
dc.identifier.issn0021-8979en_HK
dc.identifier.urihttp://hdl.handle.net/10722/58431-
dc.description.abstractA 1 μm long, field emitting, (5, 5) single-walled carbon nanotube (SWCNT) closed with a fullerene cap, and a similar open nanotube with hydrogen-atom termination, have been simulated using the modified neglect of diatomic overlap quantum-mechanical method. Both contain about 80 000 atoms. It is found that field penetration and band bending, and various forms of chemically and electrically induced apex dipole play roles. Field penetration may help explain electroluminescence associated with field emitting CNTs. Charge-density oscillations, induced by the hydrogen adsorption, are also found. Many of the effects can be related to known effects that occur with metallic or semiconductor field emitters; this helps both to explain the effects and to unify our knowledge about FE emitters. However, it is currently unclear how best to treat correlation-and-exchange effects when defining the CNT emission barrier. A new form of definition for the field enhancement factor (FEF) is used. Predicted FEF values for these SWCNTs are significantly less than values predicted by simple classical formulae. The FEF for the closed SWCNT decreases with applied field; the FEF for the H-terminated open SWCNT is less than the FEF for the closed SWCNT but increases with applied field. Physical explanations for this behavior are proposed but the concept of FEF is clearly problematical for CNTs. Curved Fowler-Nordheim plots are predicted. Overall, the predicted field emission performance of the H-terminated open SWCNT is slightly better than that of the closed SWCNT, essentially because a C-H dipole is formed that reduces the height of the tunneling barrier. In general, the physics of a charged SWCNT seems much more complex than hitherto realized. © 2008 American Institute of Physics.en_HK
dc.languageengen_HK
dc.publisherAmerican Institute of Physics. The Journal's web site is located at http://jap.aip.org/jap/staff.jspen_HK
dc.relation.ispartofJournal of Applied Physicsen_HK
dc.rightsJournal of Applied Physics . Copyright © American Institute of Physics.en_HK
dc.rightsCreative Commons: Attribution 3.0 Hong Kong License-
dc.rightsCopyright (2008) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in (Journal Of Applied Physics, 2008, v. 104 n. 1, p. 014310) and may be found at (http://jap.aip.org/resource/1/japiau/v104/i1/p014310_s1).-
dc.titleThe roles of apex dipoles and field penetration in the physics of charged, field emitting, single-walled carbon nanotubesen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0021-8979&volume=104&spage=014310&epage=1 &date=2008&atitle=The+Roles+of+Apex+Dipoles+and+Field+Penetration+in+the+Physics+of+Charged,+Field+Emitting,+Single-walled+Carbon+Nanotubes+en_HK
dc.identifier.emailChen, G:ghc@yangtze.hku.hken_HK
dc.identifier.authorityChen, G=rp00671en_HK
dc.description.naturepublished_or_final_version-
dc.identifier.doi10.1063/1.2946449en_HK
dc.identifier.scopuseid_2-s2.0-47749112831en_HK
dc.identifier.hkuros148204en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-47749112831&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume104en_HK
dc.identifier.issue1en_HK
dc.identifier.spage014310-
dc.identifier.epage014310-
dc.identifier.isiWOS:000257766500115-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridPeng, J=35085303300en_HK
dc.identifier.scopusauthoridLi, Z=7409073872en_HK
dc.identifier.scopusauthoridHe, C=16241724900en_HK
dc.identifier.scopusauthoridChen, G=25623289500en_HK
dc.identifier.scopusauthoridWang, W=16044270800en_HK
dc.identifier.scopusauthoridDeng, S=7202438078en_HK
dc.identifier.scopusauthoridXu, N=7202694661en_HK
dc.identifier.scopusauthoridZheng, X=7404090981en_HK
dc.identifier.scopusauthoridChen, G=35253368600en_HK
dc.identifier.scopusauthoridEdgcombe, CJ=7003538534en_HK
dc.identifier.scopusauthoridForbes, RG=7102424879en_HK

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