Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/118184
Title: Interaction of graphene oxide with barium titanate in composite: XPS and DFT studies
Authors: Boukhvalov, D. W.
Zhidkov, I. S.
Kukharenko, A. I.
Cholakh, S. O.
Menéndez, J. L.
Fernández-García, L.
Kurmaev, E. Z.
Issue Date: 2020
Publisher: Elsevier Ltd
Citation: Interaction of graphene oxide with barium titanate in composite: XPS and DFT studies / D. W. Boukhvalov, I. S. Zhidkov, A. I. Kukharenko et al. // Journal of Alloys and Compounds. — 2020. — Vol. 840. — 155747.
Abstract: By using X-ray photoelectron spectroscopy and density functional theory based calculations, it has been found that graphene in BaTiO3/graphene oxide composites prepared by inexpensive traditional ceramic processing behaves as an active filler. It also induces an interfacial bonding with the formation of Ti–O–C chemical bonds that lead to a reduction of the band gap from 3.4 to 2.4 eV, which is attractive for various photocatalytic applications. The pathway and energetics of hydrogen evolution reaction in acidic and alkaline media over BaTiO3/graphene oxide substrates were checked. © 2020
Keywords: ALKALINITY
BARIUM TITANATE
BOND STRENGTH (CHEMICAL)
ENERGY GAP
GRAPHENE
X RAY PHOTOELECTRON SPECTROSCOPY
ACTIVE FILLERS
ALKALINE MEDIA
DFT STUDY
INTERFACIAL BONDING
OXIDE COMPOSITES
OXIDE SUBSTRATES
PHOTOCATALYTIC APPLICATION
TRADITIONAL CERAMICS
DENSITY FUNCTIONAL THEORY
URI: http://hdl.handle.net/10995/118184
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85085753708
ISSN: 9258388
DOI: 10.1016/j.jallcom.2020.155747
metadata.dc.description.sponsorship: Ministry of Education and Science of the Russian Federation, Minobrnauka: АААА-А18-118020190098-5; Government Council on Grants, Russian Federation
XPS measurements are supported by Ministry of Science and Education of Russian Federation: Themes “Electron” № АААА-А18-118020190098-5 and the Government of the Russian Federation (Act 211, agreement No. 02.A03.21.0006 ).
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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