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Park, Noejung
Computational Physics & Electronic Structure Lab
Research Interests
  • Electronic structure calculation, computational physics, computational material science

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Tip-functionalized carbon nanotubes under electric fields

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dc.contributor.author Kim, C ko
dc.contributor.author Seo, Kwanyong ko
dc.contributor.author Kim, B ko
dc.contributor.author Park, Noejung ko
dc.contributor.author Choi, YS ko
dc.contributor.author Park, KA ko
dc.contributor.author Lee, YH ko
dc.date.available 2014-11-11T00:13:12Z -
dc.date.created 2014-11-10 ko
dc.date.issued 2003-09 -
dc.identifier.citation PHYSICAL REVIEW B, v.68, no.11, pp.115403 - ko
dc.identifier.issn 2469-9950 ko
dc.identifier.uri https://scholarworks.unist.ac.kr/handle/201301/8528 -
dc.identifier.uri http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=0242679693 ko
dc.description.abstract We investigated the electronic structures of chemically modified carbon nanotube tips under electric fields using density functional calculations. Hydrogen, oxygen, and hydroxyl group-terminated nanotubes have been considered as field emitters or probe tips. In the case of the open-ended tubes, the field emission originates primarily from the dangling-bond states localized at the edge, whereas the pentagonal defects are the main source of the field emission in the capped tubes. The open-ended nanotube with a zigzag edge is an efficient field emitter because of the localized electronic states around the Fermi level and the atomic alignment of carbon-carbon bonds along with external electric fields. Tip functionalization alters the local density of states as well as the chemical selectivity of nanotubes in various ways. The correlations between atomic geometries of chemically functionalized tips and their electronic structures are further discussed. We propose that a hydrogen-terminated tube would be a promising probe tip for selective chemical imaging. ko
dc.description.statementofresponsibility open -
dc.language ENG ko
dc.publisher AMER PHYSICAL SOC ko
dc.subject POLYATOMIC-MOLECULES ko
dc.subject FULLERENE NANOTUBES ko
dc.subject LOCALIZED STATES ko
dc.subject EMISSION ko
dc.subject MICROSCOPY ko
dc.subject EXPOSURE ko
dc.subject GROWTH ko
dc.subject ENERGY ko
dc.subject PROBES ko
dc.title Tip-functionalized carbon nanotubes under electric fields ko
dc.type ARTICLE ko
dc.identifier.scopusid 2-s2.0-0242679693 ko
dc.identifier.wosid 000185829300082 ko
dc.type.rims ART ko
dc.description.wostc 25 *
dc.description.scopustc 28 *
dc.date.tcdate 2015-05-06 *
dc.date.scptcdate 2014-11-10 *
dc.identifier.doi 10.1103/PhysRevB.68.115403 ko
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