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Rational Design of Highly Stable and Active MXene-Based Bifunctional ORR/OER Double-Atom Catalysts

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27740%2F21%3A10249799" target="_blank" >RIV/61989100:27740/21:10249799 - isvavai.cz</a>

  • Alternative codes found

    RIV/61989100:27640/21:10249799

  • Result on the web

    <a href="https://onlinelibrary.wiley.com/doi/10.1002/adma.202102595" target="_blank" >https://onlinelibrary.wiley.com/doi/10.1002/adma.202102595</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1002/adma.202102595" target="_blank" >10.1002/adma.202102595</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Rational Design of Highly Stable and Active MXene-Based Bifunctional ORR/OER Double-Atom Catalysts

  • Original language description

    Designing highly active and bifunctional oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) catalysts has attracted great interest toward metal-air batteries. Herein, an efficient solution to the search for MXene-based bifunctional catalysts is proposed by introducing non-noble metals such as Fe/Co/Ni at the surfaces. These results indicate that the ultrahigh activities in Ni1/Ni2- and Fe1/Ni2-modified MXene-based double-atom catalysts (DACs) for bifunctional ORR/OER are better than those of well-known unifunctional catalysts with low overpotentials, such as Pt(111) for the ORR and IrO2(110) for the OER. Strain can profoundly regulate the catalytic activities of MXene-based DACs, providing a novel pathway for tunable catalytic behavior in flexible MXenes. An electrochemical model, based on density functional theory and theoretical polarization curves, is proposed to reveal the underlying mechanisms, in agreement with experimental results. Electronic structure analyses indicate that the excellent catalytic activities in the MXene-based DACs are attributed to the electron-capturing capability and synergistic interactions between Fe/Co/Ni adsorbents and MXene substrate. These findings not only reveal promising candidates for MXene-based bifunctional ORR/OER catalysts but also provide new theoretical insights into rationally designing noble-metal-free bifunctional DACs.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Result continuities

  • Project

    <a href="/en/project/EF16_013%2F0001791" target="_blank" >EF16_013/0001791: IT4Innovations national supercomputing center - path to exascale</a><br>

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Others

  • Publication year

    2021

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Advanced Materials

  • ISSN

    0935-9648

  • e-ISSN

    1521-4095

  • Volume of the periodical

    33

  • Issue of the periodical within the volume

    40

  • Country of publishing house

    DE - GERMANY

  • Number of pages

    13

  • Pages from-to

    nestrankovano

  • UT code for WoS article

    000680534500001

  • EID of the result in the Scopus database

    2-s2.0-85111681845