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
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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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