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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

  • 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

    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

  • 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

  • UT code for WoS article

    000842157800001

  • EID of the result in the Scopus database

    2-s2.0-85136921949