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Noble metals enhanced catalytic activity of anatase TiO2 for hydrogen evolution reaction

Pan, Y.; Wen, M.

International journal of hydrogen energy. Volume 43:Number 49 (2018); pp 22055-22063 -- Elsevier

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  • Title:
    Noble metals enhanced catalytic activity of anatase TiO2 for hydrogen evolution reaction
  • Author: Pan, Y.;
    Wen, M.
  • Found In: International journal of hydrogen energy. Volume 43:Number 49 (2018); pp 22055-22063
  • Journal Title: International journal of hydrogen energy
  • Subjects: Hydrogène (Combustible)--Périodiques; Hydrogen as fuel--Periodicals; Hydrogen as fuel; Periodicals; Anatase TiO2--Hydrogen evolution reaction--Catalytic activity--Noble metal-doping--First-principles calculations; Dewey: 665.81
  • Rights: legaldeposit
  • Publication Details: Elsevier
  • Abstract: Abstract:

    Although anatase TiO2is a promising candidate for hydrogen evolution reaction in acidic media, the application of TiO2is hindered by the poor electrical transport and reactivity of active sites. Here, we report on the hydrogen occupied mechanism, noble metal-doped effect and influence of noble metal on the hydrogen evolution activity of TiO2by using the first-principles approach. We find that hydrogen prefers to occupy the tetrahedral interstice site because of the strongly localized hybridization between hydrogen and TiO2. Importantly, those noble metals can improve the electronic transport between the valence band and the conduction band near the Fermi level. Ag-doping and Au-doing are more thermodynamically stable than that of Pt-doping, Pd-doping and Ru-doping. In comparison with other noble metals, we find that Ag-doping is beneficial to enhance the hydrogen evolution reaction activity of TiO2because hydrogenated Ag-doping weakens the electronic transfer between Ti-3 d state and O-2 p state near the Fermi level. Finally, our work indicates that Ag-doping is a promising TiO2HER catalyst.

    Graphical abstract:

    Highlights:

    Effect of noble metals on the hydrogen evolution activity of TiO2is studied.

    Hydrogen doped mechanism in TiO2is studied.

    Noble metal doped effect in TiO2is investigated.

    Au-doping is more thermodynamically stable than that of other noble metals.

    Ag-doping exhibits excellent HER activity in comparison with the Pt-doping.


  • Identifier: System Number: LDEAvdc_100072732209.0x000001; Journal ISSN: 0360-3199; 10.1016/j.ijhydene.2018.10.093
  • Publication Date: 2018
  • Physical Description: Electronic
  • Shelfmark(s): ELD Digital store

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