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https://hdl.handle.net/11147/6488
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DC Field | Value | Language |
---|---|---|
dc.contributor.author | İyikanat, Fadıl | - |
dc.contributor.author | Kandemir, Ali | - |
dc.contributor.author | Bacaksız, Cihan | - |
dc.contributor.author | Şahin, Hasan | - |
dc.date.accessioned | 2017-11-20T13:03:47Z | |
dc.date.available | 2017-11-20T13:03:47Z | |
dc.date.issued | 2017-08 | - |
dc.identifier.citation | İyikanat, F., Kandemir, A., Bacaksız, C., and Şahin, H. (2017). Adsorption and diffusion characteristics of lithium on hydrogenated α- and β-silicene. Beilstein Journal of Nanotechnology, 8(1), 1742-1748. doi:10.3762/bjnano.8.175 | en_US |
dc.identifier.issn | 2190-4286 | - |
dc.identifier.issn | 2190-4286 | - |
dc.identifier.uri | http://doi.org/10.3762/bjnano.8.175 | - |
dc.identifier.uri | http://hdl.handle.net/11147/6488 | - |
dc.description.abstract | Using first-principles density functional theory calculations, we investigate adsorption properties and the diffusion mechanism of a Li atom on hydrogenated single-layer α- and β-silicene on a Ag(111) surface. It is found that a Li atom binds strongly on the surfaces of both α- and β-silicene, and it forms an ionic bond through the transfer of charge from the adsorbed atom to the surface. The binding energies of a Li atom on these surfaces are very similar. However, the diffusion barrier of a Li atom on H-α-Si is much higher than that on H-β-Si. The energy surface calculations show that a Li atom does not prefer to bind in the vicinity of the hydrogenated upper-Si atoms. Strong interaction between Li atoms and hydrogenated silicene phases and low diffusion barriers show that α- and β-silicene are promising platforms for Li-storage applications. | en_US |
dc.description.sponsorship | TUBITAK project 114F397; TUBITAK 116C073; -The Science Academy, Turkey under the BAGEP program | en_US |
dc.language.iso | en | en_US |
dc.publisher | Beilstein-Institut Zur Forderung der Chemischen Wissenschaften | en_US |
dc.relation | info:eu-repo/grantAgreement/TUBITAK/MFAG/114F397 | en_US |
dc.relation.ispartof | Beilstein Journal of Nanotechnology | en_US |
dc.rights | info:eu-repo/semantics/openAccess | en_US |
dc.subject | Density functional theory | en_US |
dc.subject | Diffusion | en_US |
dc.subject | Silicene | en_US |
dc.subject | Lithium | en_US |
dc.title | Adsorption and Diffusion Characteristics of Lithium on Hydrogenated ?- and Ss-Silicene | en_US |
dc.type | Article | en_US |
dc.authorid | TR202801 | - |
dc.authorid | TR226858 | - |
dc.authorid | TR216960 | - |
dc.institutionauthor | İyikanat, Fadıl | - |
dc.institutionauthor | Kandemir, Ali | - |
dc.institutionauthor | Bacaksız, Cihan | - |
dc.institutionauthor | Şahin, Hasan | - |
dc.department | İzmir Institute of Technology. Physics | en_US |
dc.department | İzmir Institute of Technology. Photonics | en_US |
dc.department | İzmir Institute of Technology. Materials Science and Engineering | en_US |
dc.identifier.volume | 8 | en_US |
dc.identifier.issue | 1 | en_US |
dc.identifier.startpage | 1742 | en_US |
dc.identifier.endpage | 1748 | en_US |
dc.identifier.wos | WOS:000408664600001 | - |
dc.identifier.scopus | 2-s2.0-85028562474 | - |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
dc.identifier.doi | 10.3762/bjnano.8.175 | - |
dc.identifier.pmid | 28904835 | - |
dc.relation.doi | 10.3762/bjnano.8.175 | en_US |
dc.coverage.doi | 10.3762/bjnano.8.175 | - |
dc.identifier.wosquality | Q2 | - |
dc.identifier.scopusquality | Q2 | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.languageiso639-1 | en | - |
item.openairetype | Article | - |
item.grantfulltext | open | - |
item.fulltext | With Fulltext | - |
item.cerifentitytype | Publications | - |
crisitem.author.dept | 04.04. Department of Photonics | - |
Appears in Collections: | Materials Science and Engineering / Malzeme Bilimi ve Mühendisliği Photonics / Fotonik Physics / Fizik PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection |
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