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Electrochemical Pourbaix diagrams of Mg-Zn alloys from first-principles calculations and experimental thermodynamic data

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27640%2F21%3A10248141" target="_blank" >RIV/61989100:27640/21:10248141 - isvavai.cz</a>

  • Alternative codes found

    RIV/61989100:27740/21:10248141

  • Result on the web

    <a href="https://pubs.rsc.org/en/content/articlelanding/2021/CP/D1CP02754A" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2021/CP/D1CP02754A</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1039/d1cp02754a" target="_blank" >10.1039/d1cp02754a</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Electrochemical Pourbaix diagrams of Mg-Zn alloys from first-principles calculations and experimental thermodynamic data

  • Original language description

    Mg-Zn alloys have attracted much attention as biodegradable alloys owing to their superior mechanical properties and excellent biocompatibility. However, their corrosion/degradation behaviour has become a major issue for various biomedical applications. To understand their corrosion behaviours in aqueous environments, the first-principles informed Pourbaix diagrams, that is, electrochemical phase diagrams with respect to electrode potential and solution pH, were constructed for Mg-Zn alloys and compared with experimental observations. It was found that for Mg-rich alloys, the MgZn phase has a higher potential than the Mg matrix and may act as a cathode, resulting in galvanic corrosion, while for Zn-rich alloys, the phase Mg2Zn11 corrodes first. In Zn-rich alloys, Mg(OH)(2) preferably precipitates under alkaline conditions, thus hindering the increase in pH and preventing the release of dissolved ZnO22- ions. In a Cl-containing solution, the soluble ZnCl2 eases the corrosion of the Zn matrix by decreasing the corrosion potential. These results are supported by various experimental observations; thus, they provide an in-depth understanding of the degradation behaviour of various Mg-Zn alloys as well as a feasible pathway in the design of biocompatible Mg-Zn alloys with first-principles informed Pourbaix diagrams.

  • 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

    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

    Physical Chemistry Chemical Physics

  • ISSN

    1463-9076

  • e-ISSN

  • Volume of the periodical

    23

  • Issue of the periodical within the volume

    35

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    9

  • Pages from-to

    19602-19610

  • UT code for WoS article

    000689016000001

  • EID of the result in the Scopus database

    2-s2.0-85115197718