Publication:
The study of band structure of graphite intercalation compound containing sodium calculated using density functional theory

Simple item page
dc.Conferencecode113042
dc.Conferencedate31 January 2015 through 1 February 2015
dc.Conferencename3rd International Conference on Science and Engineering in Mathematics, Chemistry and Physics, ScieTech 2015
dc.citedby2
dc.contributor.affiliationsFaculty of Science and Technology
dc.contributor.affiliationsUniversiti Sains Islam Malaysia (USIM)
dc.contributor.affiliationsUniversiti Pertahanan Nasional Malaysia (UPNM)
dc.contributor.affiliationsUniversity of Malaya (UM)
dc.contributor.authorRosli A.N.en_US
dc.contributor.authorWahab I.F.en_US
dc.contributor.authorZabidi N.A.en_US
dc.contributor.authorKassim H.A.en_US
dc.date.accessioned2024-05-28T08:24:45Z
dc.date.available2024-05-28T08:24:45Z
dc.date.issued2015
dc.description.abstractSodium intercalation in graphite (GIC-Na) was investigated by the first principle calculation. The structure of GIC-Na was calculated using density functional theory (DFT) with the aid of CASTEP module of Material Studio. The exchange correlation functional has been treat by local density approximation (LDA) and generalized gradient approximation (GGA). It was shown that, unlike potassium GIC and lithium GIC, the band gap of GIC-Na was not induced and has same value of band gap with bulk graphite.en_US
dc.description.natureFinalen_US
dc.editorGaol F.L.en_US
dc.identifier.ArtNo12049
dc.identifier.doi10.1088/1742-6596/622/1/012049
dc.identifier.issn17426588
dc.identifier.issue1
dc.identifier.scopus2-s2.0-84938869389
dc.identifier.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-84938869389&doi=10.1088%2f1742-6596%2f622%2f1%2f012049&partnerID=40&md5=c944374c0309059d3bfd9f491f5ca32a
dc.identifier.urihttps://oarep.usim.edu.my/handle/123456789/8555
dc.identifier.volume622
dc.languageEnglish
dc.language.isoen_USen_US
dc.publisherInstitute of Physics Publishingen_US
dc.relation.ispartofOpen Accessen_US
dc.relation.ispartofJournal of Physics: Conference Series
dc.sourceScopus
dc.subjectdensity functional theoryen_US
dc.subjectgraphite intercalation compounden_US
dc.subjectNaen_US
dc.titleThe study of band structure of graphite intercalation compound containing sodium calculated using density functional theoryen_US
dc.title.alternativeJ. Phys. Conf. Ser.en_US
dc.typeConference Paperen_US
dspace.entity.typePublication

Files

Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
The study of band structure of graphite intercalation compound containing sodium calculated using density functional theory.pdf
Size:
1.1 MB
Format:
Adobe Portable Document Format
Download

Collections

Scopus