Nanostructured NaFeS2 as a cost-effective and robust electrocatalyst for hydrogen and oxygen evolution with reduced overpotentials
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15640%2F21%3A73612200" target="_blank" >RIV/61989592:15640/21:73612200 - isvavai.cz</a>
Result on the web
<a href="https://www.sciencedirect.com/science/article/pii/S1385894721028965?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S1385894721028965?via%3Dihub</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.cej.2021.131315" target="_blank" >10.1016/j.cej.2021.131315</a>
Alternative languages
Result language
angličtina
Original language name
Nanostructured NaFeS2 as a cost-effective and robust electrocatalyst for hydrogen and oxygen evolution with reduced overpotentials
Original language description
One of the biggest challenges currently in the field of energy generation and conservation is to develop a stable, scalable and cost-effective electrocatalyst with reduced overpotentials for both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). This unprecedented effort presents a robust, non-costly ternary alkali metal-based chalcogenide (NaFeS2) as an effective and highly active electrocatalyst prepared by the hydrothermal method. The monocrystalline nature of the NaFeS2 nanostructures was shown using SAED patterns. The differences in the atomic radii of Na and Fe favors the formation of Fe-S bonds largely contributing to the enhanced electrocatalytic activity of NaFeS2. Further, a decrease in the kinetic energy of the catalytic reaction increases the electrocatalytic property of NaFeS2. We also highlighted the contribution of the high surface area, the Fermi level and the d-orbitals of Fe in enhancing the OER. NaFeS2/NF shows a current density of 200 mA cm-2 with a small potential of 1.60 V and an overpotential of 370 mV indicating that the material possesses a remarkable electrocatalytic activity outperforming other electrocatalysts in the category. Further, by displaying a potential of -220 mV, NaFeS2/NF attained a current density of -100 mA cm-2, demonstrating a significantly improved HER performance of the electrocatalyst. Also, at a potential of -220 mV, the material exhibited a high stability at a continuous electrolysis of about 30 h. The density functional theory (DFT) calculations indicated that out of the possible adsorption sites on the NaFeS2 surface, only (010) and (100) exhibit catalytically preferential adsorption energy (EH) values, which are eventually responsible for the superior electrocatalytic activity. Finally, both the experimental studies and the DFT calculations complement each other and present NaFeS2 as a potentially promising bifunctional electrocatalyst for water splitting applications, which can be scaled-up and deployed for large-scale hydrogen productions.
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
21001 - Nano-materials (production and properties)
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
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
CHEMICAL ENGINEERING JOURNAL
ISSN
1385-8947
e-ISSN
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Volume of the periodical
426
Issue of the periodical within the volume
DEC
Country of publishing house
CH - SWITZERLAND
Number of pages
10
Pages from-to
"nečíslováno"
UT code for WoS article
000727804600002
EID of the result in the Scopus database
2-s2.0-85110499682