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An Atomic‐Scale View at γ’‐Fe4N as Hydrogen Barrier Material

Advanced Materials Interfaces, vol. 12

Abstract

Abstract Hydrogen, while a promising sustainable energy carrier, presents challenges such as the embrittlement of materials due to its ability to penetrate and weaken their crystal structures. Here γ’‐Fe4N nitride layers, formed on iron through a cost‐effective gas nitriding, are investigated as an effective hydrogen permeation barrier. The relatively short process carried out at 570 °C consisted of pre‐nitriding in an atmosphere with higher nitriding potential, followed by treatment in a nitriding potential of 0.0016 Pa−1/2 to obtain a pure γ’ layer. A combination of screening methods, including atom probe tomography, density functional theory calculations, and hydrogen permeation analysis, revealed that the nitride layer reduces hydrogen diffusion (steady‐state hydrogen flux 3.21 x 10−8 mol/m2·s) by a factor of 20 compared to pure iron, at room temperature. This reduction is achieved by creating energetically unfavorable states due to stronger hydrogen‐binding at the surface and high energy barriers for diffusion. The findings demonstrate the potential of γ’‐Fe4N as a cost‐efficient and easy‐to‐process solution to protect metallic materials exposed to hydrogen at low temperatures, with great advantages for large‐scale applications.

Authors 11

  1. West Pomeranian University of Technology in Szczecin · Max-Planck-Institut für Nachhaltige Materialien

    Affiliation as printed

    Department of Inorganic Chemical Technology and Environment Engineering Faculty of Chemical Technology and Engineering West Pomeranian University of Technology in Szczecin Piastów Ave. 42 Szczecin 71‐065 Poland

    Max Planck Institute for Sustainable Materials Max‐Planck‐Straße 1 40237 Düsseldorf Germany

  2. Korea University

    Affiliation as printed

    Department of Materials Science and Engineering Korea University Seoul 02841 Republic of Korea

  3. Korea Research Institute of Chemical Technology

    Affiliation as printed

    Korea Research Institute of Chemical Technology Daejeon 34114 Republic of Korea

  4. Max-Planck-Institut für Nachhaltige Materialien

    Affiliation as printed

    Max Planck Institute for Sustainable Materials Max‐Planck‐Straße 1 40237 Düsseldorf Germany

  5. RWTH Aachen University

    Affiliation as printed

    Materials Chemistry RWTH Aachen University Kopernikusstr. 10 52074 Aachen Germany

  6. Max-Planck-Institut für Nachhaltige Materialien · Korea Research Institute of Chemical Technology

    Affiliation as printed

    Chemical Data‐Driven Research Center Korea Research Institute of Chemical Technology Daejeon 06211 Republic of Korea

    Max Planck Institute for Sustainable Materials Max‐Planck‐Straße 1 40237 Düsseldorf Germany

  7. Max-Planck-Institut für Nachhaltige Materialien · Delft University of Technology

    Affiliation as printed

    Department of Materials Science and Engineering Delft University of Technology Mekelweg 2 Delft 2628 CD The Netherlands

    Max Planck Institute for Sustainable Materials Max‐Planck‐Straße 1 40237 Düsseldorf Germany

  8. Max-Planck-Institut für Nachhaltige Materialien

    Affiliation as printed

    Max Planck Institute for Sustainable Materials Max‐Planck‐Straße 1 40237 Düsseldorf Germany

  9. Seok Su Sohn corresponding

    Korea University

    Affiliation as printed

    Department of Materials Science and Engineering Korea University Seoul 02841 Republic of Korea

  10. Yonghyuk Lee corresponding

    University of California, Los Angeles

    Affiliation as printed

    Department of Chemistry and Biochemistry University of California Los Angeles Los Angeles CA 90095 USA

  11. Se‐Ho Kim corresponding

    Korea University · Max-Planck-Institut für Nachhaltige Materialien

    Affiliation as printed

    Department of Materials Science and Engineering Korea University Seoul 02841 Republic of Korea

    Max Planck Institute for Sustainable Materials Max‐Planck‐Straße 1 40237 Düsseldorf Germany

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References 85