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  3. Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC
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dc.contributor.authorZatsepin, D. A.en
dc.contributor.authorBoukhvalov, D. W.en
dc.contributor.authorKurmaev, E. Z.en
dc.contributor.authorZhidkov, I. S.en
dc.contributor.authorGavrilov, N. V.en
dc.contributor.authorKorotin, M. A.en
dc.contributor.authorKim, S. S.en
dc.date.accessioned2021-08-31T15:03:16Z-
dc.date.available2021-08-31T15:03:16Z-
dc.date.issued2015-
dc.identifier.citationStructural defects and electronic structure of N-ion implanted TiO 2 : Bulk versus thin film / D. A. Zatsepin, D. W. Boukhvalov, E. Z. Kurmaev, et al. — DOI 10.1016/j.apsusc.2015.07.190 // Applied Surface Science. — 2015. — Vol. 355. — P. 984-988.en
dc.identifier.issn1694332-
dc.identifier.otherFinal2
dc.identifier.otherAll Open Access, Green3
dc.identifier.otherhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-84944338899&doi=10.1016%2fj.apsusc.2015.07.190&partnerID=40&md5=9527dfc8a2581520bff115e535d668fb
dc.identifier.otherhttp://arxiv.org/pdf/1507.07647m
dc.identifier.urihttp://elar.urfu.ru/handle/10995/102346-
dc.description.abstractSystematic investigation of atomic structure of N-ion implanted TiO 2 (thin films and bulk ceramics) was performed by XPS measurements (core levels and valence bands) and first-principles density functional theory (DFT) calculations. In bulk samples experiment and theory demonstrate anion N → O substitution. For the thin films case experiments evidence valuable contributions from N 2 and NO molecule-like structures and theoretical modeling reveals a possibility of formation of these species as result of the appearance of interstitial nitrogen defects on the various surfaces of TiO 2 . Energetics of formation of oxygen vacancies and its key role for band gap reduction is also discussed. © 2015 Elsevier B.V. All rights reserved.en
dc.format.mimetypeapplication/pdfen
dc.language.isoenen
dc.publisherElsevier B.V.en
dc.rightsinfo:eu-repo/semantics/openAccessen
dc.sourceAppl Surf Sci2
dc.sourceApplied Surface Scienceen
dc.subjectDENSITY FUNCTIONAL CALCULATIONSen
dc.subjectION IMPLANTATIONen
dc.subjectX-RAY PHOTOELECTRON SPECTROSCOPYen
dc.subjectCALCULATIONSen
dc.subjectDENSITY FUNCTIONAL THEORYen
dc.subjectELECTRONIC STRUCTUREen
dc.subjectENERGY GAPen
dc.subjectION IMPLANTATIONen
dc.subjectIONSen
dc.subjectOXYGEN VACANCIESen
dc.subjectTITANIUM DIOXIDEen
dc.subjectX RAY PHOTOELECTRON SPECTROSCOPYen
dc.subjectBAND GAP REDUCTIONen
dc.subjectBULK CERAMICSen
dc.subjectFIRST PRINCIPLES DENSITY FUNCTIONAL THEORY (DFT) CALCULATIONSen
dc.subjectINTERSTITIAL NITROGENen
dc.subjectION IMPLANTEDen
dc.subjectSTRUCTURAL DEFECTen
dc.subjectTHEORETICAL MODELINGen
dc.subjectXPS MEASUREMENTSen
dc.subjectTHIN FILMSen
dc.titleStructural defects and electronic structure of N-ion implanted TiO 2 : Bulk versus thin filmen
dc.typeArticleen
dc.typeinfo:eu-repo/semantics/articleen
dc.typeinfo:eu-repo/semantics/publishedVersionen
dc.identifier.doi10.1016/j.apsusc.2015.07.190-
dc.identifier.scopus84944338899-
local.contributor.employeeZatsepin, D.A., M.N. Miheev Institute of Metal Physics, Ural Branch of Russian, Academy of Sciences, X-ray Spectroscopy Laboratory, 18 Kovalevskoj Str., Yekaterinburg, 620990, Russian Federation, Institute of Physics and Technology, Ural Federal University, Mira Street 19, Yekaterinburg, 620002, Russian Federation
local.contributor.employeeBoukhvalov, D.W., Department of Chemistry, Hanyang University, 17 Haengdang-dong, Seongdong-gu, Seoul, 133-791, South Korea, Theoretical Physics and Applied Mathematics Department, Ural Federal University, Mira Street 19, Yekaterinburg, 620002, Russian Federation
local.contributor.employeeKurmaev, E.Z., M.N. Miheev Institute of Metal Physics, Ural Branch of Russian, Academy of Sciences, X-ray Spectroscopy Laboratory, 18 Kovalevskoj Str., Yekaterinburg, 620990, Russian Federation, Institute of Physics and Technology, Ural Federal University, Mira Street 19, Yekaterinburg, 620002, Russian Federation
local.contributor.employeeZhidkov, I.S., Institute of Physics and Technology, Ural Federal University, Mira Street 19, Yekaterinburg, 620002, Russian Federation
local.contributor.employeeGavrilov, N.V., Institute of Electrophysics, Russian Academy of Sciences, Ural Division, Yekaterinburg, 620016, Russian Federation
local.contributor.employeeKorotin, M.A., M.N. Miheev Institute of Metal Physics, Ural Branch of Russian, Academy of Sciences, X-ray Spectroscopy Laboratory, 18 Kovalevskoj Str., Yekaterinburg, 620990, Russian Federation
local.contributor.employeeKim, S.S., School of Materials Science and Engineering, Inha University, Incheon, 402-751, South Korea
local.description.firstpage984-
local.description.lastpage988-
local.volume355-
dc.identifier.wos000363815700128-
local.contributor.departmentM.N. Miheev Institute of Metal Physics, Ural Branch of Russian, Academy of Sciences, X-ray Spectroscopy Laboratory, 18 Kovalevskoj Str., Yekaterinburg, 620990, Russian Federation
local.contributor.departmentInstitute of Physics and Technology, Ural Federal University, Mira Street 19, Yekaterinburg, 620002, Russian Federation
local.contributor.departmentDepartment of Chemistry, Hanyang University, 17 Haengdang-dong, Seongdong-gu, Seoul, 133-791, South Korea
local.contributor.departmentTheoretical Physics and Applied Mathematics Department, Ural Federal University, Mira Street 19, Yekaterinburg, 620002, Russian Federation
local.contributor.departmentInstitute of Electrophysics, Russian Academy of Sciences, Ural Division, Yekaterinburg, 620016, Russian Federation
local.contributor.departmentSchool of Materials Science and Engineering, Inha University, Incheon, 402-751, South Korea
local.identifier.purea9dcc3b1-c61a-495f-83a4-be09685c4a05uuid
local.identifier.pure554466-
local.identifier.eid2-s2.0-84944338899-
local.identifier.wosWOS:000363815700128-
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