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Journal of Alloys and CompoundsVolume 840, 5 November 2020, Article number 155747

Interaction of graphene oxide with barium titanate in composite: XPS and DFT studies(Article)(Open Access)

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  • aCollege of Science, Institute of Materials Physics and Chemistry, Nanjing Forestry University, Nanjing, 210037, China
  • bInstitute of Physics and Technology, Ural Federal University, Yekaterinburg, 620002, Russian Federation
  • cCentro de Investigación en Nanomateriales y Nanotecnología, Consejo Superior de Investigaciones Científicas (CSIC)—Universidad de Oviedo (UO)—Principado de Asturias, Avenida de La Vega 4-6 El Entrego, San, Martin Del Rey Aurelio, Asturias 33940, Spain
  • dM.N. Mikheev Institute of Metal Physics, Russian Academy of Sciences, Ural Branch, Yekaterinburg, 620108, Russian Federation

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

Indexed keywords

Engineering controlled terms:AlkalinityBarium titanateBond strength (chemical)Energy gapGrapheneX ray photoelectron spectroscopy
Engineering uncontrolled termsActive fillersAlkaline mediaDFT studyInterfacial bondingOxide compositesOxide substratesPhotocatalytic applicationTraditional ceramics
Engineering main heading:Density functional theory

Funding details

Funding sponsor Funding number Acronym
Ministry of Education and Science of the Russian FederationАААА-А18-118020190098-5Minobrnauka
Government Council on Grants, Russian Federation

  • 1

    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 ).

  • ISSN: 09258388
  • CODEN: JALCE
  • Source Type: Journal
  • Original language: English
  • DOI: 10.1016/j.jallcom.2020.155747
  • Document Type: Article
  • Publisher: Elsevier Ltd

  Boukhvalov, D.W.; College of Science, Institute of Materials Physics and Chemistry, Nanjing Forestry University, Nanjing, China;
© Copyright 2020 Elsevier B.V., All rights reserved.

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