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dc.contributor.authorBukhvalov Danil-
dc.date.accessioned2019-11-25T05:16:16Z-
dc.date.available2019-11-25T05:16:16Z-
dc.date.issued2017-05-
dc.identifier.citationAPPLIED SURFACE SCIENCE, v. 405, page. 129-136en_US
dc.identifier.issn0169-4332-
dc.identifier.issn1873-5584-
dc.identifier.urihttps://www.sciencedirect.com/science/article/pii/S0169433217303471?via%3Dihub-
dc.identifier.urihttps://repository.hanyang.ac.kr/handle/20.500.11754/114102-
dc.description.abstractThe electronic structures of zincite Pb-modulated bulk and thin-films were studied via X-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) techniques. Both XPS data and DFT-calculations allowed the derivation of two different Pb-embedding scenarios into the ZnO-hosts. These included the high-interaction mode of Pb-impurity with initial zinc-oxygen host-lattice for the bulk morphology, accompanied with low Pb-metal losses; and the low-interaction mode for thin-films, where there was intake of Pb-impurities into the hollows of the surface. Despite dissimilar mechanisms of Pb-impurity accumulation and distribution in the bulk and thin films zincite host-matrices, the strong Pb 4f - Zn 3s and Pb 5d - O 2s overlapped ambiguity contribution to the appropriate core-level structure and valence bands was established by XPS analysis and reproduced with the help of DFT-calculations. It was shown that the microscopic structure of the embedded lead-impurity played a crucial role in the Pb ion-beam stimulated synthesis of secondary lead-oxygen phases via large-area defect fabrication, and the difference among zincite and wurzite polymorphs played almost no role in this case. (C) 2017 Elsevier B.V. All rights reserved.en_US
dc.description.sponsorshipThe synthesis of ZnO samples and posterior Pb ion-implantation treatment were supported by the Act 211 of the Government of the Russian Federation (Agreement No. 02.A03.21.0006) and the Government Assignment of Russian Ministry of Education and Science (Contract No. 3.1485.2017/). Technical support in the XPS measurements of the studied samples and the XPS Thermo Scientific (TM) K-Alpha+(TM) spectrometer provided by the Ural Center for Shared Use "Modern Nanotechnology" (Ural Federal University, Yekaterinburg, Russia) are gratefully acknowledged.en_US
dc.language.isoen_USen_US
dc.publisherELSEVIER SCIENCE BVen_US
dc.subjectZinc oxideen_US
dc.subjectzinciteen_US
dc.subjectIon implantationen_US
dc.subjectDFT modelingen_US
dc.subjectClusterizationen_US
dc.subjectLeaden_US
dc.titleXPS-and-DFT analyses of the Pb 4f-Zn 3s and Pb 5d-O 2s overlapped ambiguity contributions to the final electronic structure of bulk and thin-film Pb-modulated zinciteen_US
dc.typeArticleen_US
dc.relation.volume405-
dc.identifier.doi10.1016/j.apsusc.2017.01.310-
dc.relation.page129-136-
dc.relation.journalAPPLIED SURFACE SCIENCE-
dc.contributor.googleauthorZatsepin, D. A.-
dc.contributor.googleauthorBoukhvalov, D. W.-
dc.contributor.googleauthorGavrilov, N. V.-
dc.contributor.googleauthorKurmaev, E. Z.-
dc.contributor.googleauthorZatsepin, A. F.-
dc.contributor.googleauthorCui, L.-
dc.contributor.googleauthorShur, V. Ya.-
dc.contributor.googleauthorEsin, A. A.-
dc.relation.code2017001946-
dc.sector.campusS-
dc.sector.daehakCOLLEGE OF NATURAL SCIENCES[S]-
dc.sector.departmentDEPARTMENT OF CHEMISTRY-
dc.identifier.piddanil-
dc.identifier.researcherIDF-7517-2017-
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COLLEGE OF NATURAL SCIENCES[S](자연과학대학) > CHEMISTRY(화학과) > Articles
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