File Download

There are no files associated with this item.

  Links for fulltext
     (May Require Subscription)
Supplementary

Article: Structure-dependent optical properties of single-walled silicon nanotubes

TitleStructure-dependent optical properties of single-walled silicon nanotubes
Authors
Issue Date2012
PublisherRoyal Society of Chemistry. The Journal's web site is located at http://www.rsc.org/pccp
Citation
Physical Chemistry Chemical Physics, 2012, v. 14 n. 14, p. 4695-4702 How to Cite?
AbstractThe electron excitations of Single-Walled Silicon Nanotubes (SWSiNTs), with sp 2 and sp 3 hybridization, were studied using the localized-density-matrix (LDM) method with INDO/S parameters. Strong anisotropic characteristics of the dynamic polarizabilities were found for all the nanotubes. The transitional intensity along the tubular axis is much larger than that perpendicular to the axis for all the nanotubes. The optical gaps of sp 3-hybridized infinitely-long pentagonal SWSiNTs are near 3.0 eV and 4.7 eV owing to σ-σ* transitions along the direction of the tubular axis. The optical gaps of sp 2-hybridized infinitely-long armchair SWSiNTs along the tube axis direction are about 0.7 eV and 2.4 eV for Si(3,3) SWSiNTs and 0.7 eV and 2.7 eV for Si(4,4) SWSiNTs. The former peak at 0.7 eV originated from π-π* electron transitions and the latter peak at 2.4 eV or 2.7 eV originated from σ-σ* electron transitions. Meanwhile, the intensities of π-π* electron transitions are stronger than those of σ-σ* electron transitions in SWSiNTs. The low sp 2 transition energy derived from the weak overlap of unpaired p z orbitals of silicon atoms. Moreover, the electronic excitations of zigzag SWSiNTs are similar to those of armchair structures. This indicates that sp 2-hybridized silicon nanotubes possess much greater potential for application in optical fields. © 2012 the Owner Societies.
Persistent Identifierhttp://hdl.handle.net/10722/159312
ISSN
2015 Impact Factor: 4.449
2015 SCImago Journal Rankings: 1.836
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorZhang, Men_HK
dc.contributor.authorSu, Zen_HK
dc.contributor.authorChen, Gen_HK
dc.date.accessioned2012-08-16T05:48:35Z-
dc.date.available2012-08-16T05:48:35Z-
dc.date.issued2012en_HK
dc.identifier.citationPhysical Chemistry Chemical Physics, 2012, v. 14 n. 14, p. 4695-4702en_HK
dc.identifier.issn1463-9076en_HK
dc.identifier.urihttp://hdl.handle.net/10722/159312-
dc.description.abstractThe electron excitations of Single-Walled Silicon Nanotubes (SWSiNTs), with sp 2 and sp 3 hybridization, were studied using the localized-density-matrix (LDM) method with INDO/S parameters. Strong anisotropic characteristics of the dynamic polarizabilities were found for all the nanotubes. The transitional intensity along the tubular axis is much larger than that perpendicular to the axis for all the nanotubes. The optical gaps of sp 3-hybridized infinitely-long pentagonal SWSiNTs are near 3.0 eV and 4.7 eV owing to σ-σ* transitions along the direction of the tubular axis. The optical gaps of sp 2-hybridized infinitely-long armchair SWSiNTs along the tube axis direction are about 0.7 eV and 2.4 eV for Si(3,3) SWSiNTs and 0.7 eV and 2.7 eV for Si(4,4) SWSiNTs. The former peak at 0.7 eV originated from π-π* electron transitions and the latter peak at 2.4 eV or 2.7 eV originated from σ-σ* electron transitions. Meanwhile, the intensities of π-π* electron transitions are stronger than those of σ-σ* electron transitions in SWSiNTs. The low sp 2 transition energy derived from the weak overlap of unpaired p z orbitals of silicon atoms. Moreover, the electronic excitations of zigzag SWSiNTs are similar to those of armchair structures. This indicates that sp 2-hybridized silicon nanotubes possess much greater potential for application in optical fields. © 2012 the Owner Societies.en_HK
dc.languageengen_US
dc.publisherRoyal Society of Chemistry. The Journal's web site is located at http://www.rsc.org/pccpen_HK
dc.relation.ispartofPhysical Chemistry Chemical Physicsen_HK
dc.titleStructure-dependent optical properties of single-walled silicon nanotubesen_HK
dc.typeArticleen_HK
dc.identifier.emailChen, G:ghc@yangtze.hku.hken_HK
dc.identifier.authorityChen, G=rp00671en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1039/c2cp23164fen_HK
dc.identifier.pmid22374472-
dc.identifier.scopuseid_2-s2.0-84863351698en_HK
dc.identifier.hkuros203713en_US
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-84863351698&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume14en_HK
dc.identifier.issue14en_HK
dc.identifier.spage4695en_HK
dc.identifier.epage4702en_HK
dc.identifier.isiWOS:000301494400004-
dc.publisher.placeUnited Kingdomen_HK
dc.identifier.scopusauthoridZhang, M=55286478600en_HK
dc.identifier.scopusauthoridSu, Z=24438267900en_HK
dc.identifier.scopusauthoridChen, G=35253368600en_HK

Export via OAI-PMH Interface in XML Formats


OR


Export to Other Non-XML Formats