Search for mid- and high-entropy transition-metal chalcogenides – investigating the pentlandite structure
| العنوان: | Search for mid- and high-entropy transition-metal chalcogenides – investigating the pentlandite structure |
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| المؤلفون: | Andrzej Mikuła, Maciej Kubowicz, Juliusz Dąbrowa, Radosław Lach, Krzysztof Mars, Anna Kusior |
| المصدر: | Dalton Transactions. 50:9560-9573 |
| بيانات النشر: | Royal Society of Chemistry (RSC), 2021. |
| سنة النشر: | 2021 |
| مصطلحات موضوعية: | Materials science, Inorganic Chemistry, Metal, symbols.namesake, Thermal conductivity, Transition metal, Electrical resistivity and conductivity, Seebeck coefficient, visual_art, Thermoelectric effect, visual_art.visual_art_medium, symbols, Physical chemistry, Raman spectroscopy, Electronic band structure |
| الوصف: | For the first time, transition metal-based chalcogenides conforming to the definition of high entropy materials, are synthesized, with the multicomponent occupation being utilized on both cationic and anionic sublattices. The pentlandite-structured (Co,Fe,Ni)9S8 and (Co,Fe,Ni)9(S,Se)8 compositions are obtained using a two-stage, solid-state reaction method. Room temperature structural analysis (XRD, SEM, Raman) in both cases indicates the presence of a homogeneous, single-phase, Fm3[combining macron]m structure, with a profound effect of Se addition on the lattice parameters. The obtained materials possess an excellent electrical conductivity of 105 S m-1, and slightly negative Seebeck coefficient values, resulting from their metallic character, combined with a low thermal conductivity of 2.5 W m-1 K-1, especially when compared with conventional analogues. The optical measurements reveal very promising behavior in the UV/vis range. The electrochemical sensitivity towards hydrazine and acetaminophen is also presented, making them potentially interesting for sensor devices. Based on the DFT analysis of various sub-systems, the origins of the observed transport and optical behavior are explained. Furthermore, it is shown that the application of the high-entropy principle to both sublattices simultaneously allows for extensive tailoring of the band structure, allowing these materials to be optimized with respect to the given application, including thermoelectric and photoelectrochemical devices and catalysis, e.g., the hydrogen evolution reaction. |
| تدمد: | 1477-9234 1477-9226 |
| DOI: | 10.1039/d1dt00794g |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f1b726109d7fd7006a1950049700ab1 https://doi.org/10.1039/d1dt00794g |
| Rights: | CLOSED |
| رقم الانضمام: | edsair.doi.dedup.....2f1b726109d7fd7006a1950049700ab1 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 14779234 14779226 |
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| DOI: | 10.1039/d1dt00794g |