Pettifor maps of complex ternary two-dimensional transition metal sulfides
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F22%3A00359766" target="_blank" >RIV/68407700:21230/22:00359766 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1038/s41524-022-00868-7" target="_blank" >https://doi.org/10.1038/s41524-022-00868-7</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1038/s41524-022-00868-7" target="_blank" >10.1038/s41524-022-00868-7</a>
Alternative languages
Result language
angličtina
Original language name
Pettifor maps of complex ternary two-dimensional transition metal sulfides
Original language description
Alloying is an established strategy to tune the properties of bulk compounds for desired applications. With the advent of nanotechnology, the same strategy can be applied to 2D materials for technological applications, like single-layer transistors and solid lubricants. Here we present a systematic analysis of the phase behaviour of substitutional 2D alloys in the Transition Metal Disulfides (TMD) family. The phase behaviour is quantified in terms of a metastability metric and benchmarked against many-body expansion of the energy landscape. We show how the metastability metric can be directly used as starting point for setting up rational search strategies in phase space, thus allowing for targeted further computational prediction and analysis of properties. The results presented here also constitute a useful guideline for synthesis of TMDs binary alloys via a range of synthesis techniques.
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
20505 - Composites (including laminates, reinforced plastics, cermets, combined natural and synthetic fibre fabrics; filled composites)
Result continuities
Project
<a href="/en/project/EF16_019%2F0000778" target="_blank" >EF16_019/0000778: Center for advanced applied science</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
njp computational materials
ISSN
2057-3960
e-ISSN
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Volume of the periodical
8
Issue of the periodical within the volume
1
Country of publishing house
GB - UNITED KINGDOM
Number of pages
11
Pages from-to
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UT code for WoS article
000842157800001
EID of the result in the Scopus database
2-s2.0-85136921949