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
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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
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
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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