Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Bukhvalov Danil | - |
dc.date.accessioned | 2019-12-07T19:23:25Z | - |
dc.date.available | 2019-12-07T19:23:25Z | - |
dc.date.issued | 2018-04 | - |
dc.identifier.citation | APPLIED SURFACE SCIENCE, v. 436, page. 697-707 | en_US |
dc.identifier.issn | 0169-4332 | - |
dc.identifier.issn | 1873-5584 | - |
dc.identifier.uri | https://www.sciencedirect.com/science/article/pii/S0169433217336747?via%3Dihub | - |
dc.identifier.uri | https://repository.hanyang.ac.kr/handle/20.500.11754/118340 | - |
dc.description.abstract | The cubic (c) and monoclinic (m) polymorphs of Gd2O3 were studied using the combined analysis of several materials science techniques - X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and photoluminescence (PL) spectroscopy. Density functional theory (DFT) based calculations for the samples under study were performed as well. The cubic phase of gadolinium oxide (c-Gd2O3) synthesized using a precipitation method exhibits spheroidal-like nanoclusters with well-defined edges assembled from primary nanoparticles with an average size of 50 nm, whereas the monoclinic phase of gadolinium oxide (m-Gd2O3) deposited using explosive pyrolysis has a denser structure compared with natural gadolinia. This phase also has a structure composed of threedimensional complex agglomerates without clear-edged boundaries that are similar to 21 nm in size plus a cubic phase admixture of only 2 at.% composed of primary edge-boundary nanoparticles similar to 15 nm in size. These atomic features appear in the electronic structure as different defects ([Gd ... O-OH] and [Gd ... O-O]) and have dissimilar contributions to the charge-transfer processes among the appropriate electronic states with ambiguous contributions in the Gd 5p - O2s core-like levels in the valence band structures. The origin of [Gd ... O-OH] defects found by XPS was well-supported by PL analysis. The electronic and atomic structures of the synthesized gadolinias calculated using DFT were compared and discussed on the basis of the well-known joint OKT-van der Laan model, and good agreement was established. | en_US |
dc.description.sponsorship | The Gd<INF>2</INF>O<INF>3</INF> sample synthesis, SEM, XRD, and PL measurements were made under support of the Ministry of Education and Science of the Russian Federation (Government Task No. 3.1485.2017/4.6). D.W.B. acknowledges support from the Ministry of Education and Science of the Russian Federation, Project No. 3.7372.2017/64. The XPS electronic structure qualifications were supported by the Russian Science Foundation (Project No. 14-22-00004). The authors gratefully acknowledge the technical support and scientific equipment provided by the Ural Center for Shared Use "Modern Nanotechnology" (SNSM Ural Federal University, Yekaterinburg, Russia). | en_US |
dc.language.iso | en_US | en_US |
dc.publisher | ELSEVIER SCIENCE BV | en_US |
dc.subject | Gadolinium | en_US |
dc.subject | Oxides | en_US |
dc.subject | Nanoparticles | en_US |
dc.subject | Luminescence | en_US |
dc.subject | XPS | en_US |
dc.subject | DFT | en_US |
dc.subject | Defects | en_US |
dc.title | Electronic structure, charge transfer, and intrinsic luminescence of gadolinium oxide nanoparticles: Experiment and theory | en_US |
dc.type | Article | en_US |
dc.relation.volume | 436 | - |
dc.identifier.doi | 10.1016/j.apsusc.2017.12.086 | - |
dc.relation.page | 697-707 | - |
dc.relation.journal | APPLIED SURFACE SCIENCE | - |
dc.contributor.googleauthor | Zatsepin, D. A. | - |
dc.contributor.googleauthor | Boukhvalov, D. W. | - |
dc.contributor.googleauthor | Zatsepin, A. F. | - |
dc.contributor.googleauthor | Kuznetsova, Yu. A. | - |
dc.contributor.googleauthor | Mashkovtsev, M. A. | - |
dc.contributor.googleauthor | Rychkov, V. N. | - |
dc.contributor.googleauthor | Shur, V. Ya. | - |
dc.contributor.googleauthor | Esin, A. A. | - |
dc.contributor.googleauthor | Kurmaev, E. Z. | - |
dc.relation.code | 2018002021 | - |
dc.sector.campus | S | - |
dc.sector.daehak | COLLEGE OF NATURAL SCIENCES[S] | - |
dc.sector.department | DEPARTMENT OF CHEMISTRY | - |
dc.identifier.pid | danil | - |
dc.identifier.researcherID | F-7517-2017 | - |
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