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Revisiting Mg-Mg2Ni System from Electronic Perspective
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2017 (English)In: METALS, ISSN 2075-4701, Vol. 7, no 11, article id 489Article in journal (Refereed) Published
Abstract [en]

Both Mg and Mg2Ni are promising electrode materials in conversion-type secondary batteries. Earlier studies have shown their single-phase prospects in electro-devices, while in this work, we have quantitatively reported the electronic properties of their dual-phase materials, that is, Mg-Mg2Ni alloys, and analyzed the underlying reasons behind the property changes of materials. The hypoeutectic Mg-Mg2Ni alloys are found to be evidently more conductive than the hypereutectic Mg-Mg2Ni system. The density functional theory (DFT) calculations give the intrinsic origin of electronic structures of both Mg2Ni and Mg. The morphology of quasi-nanoscale eutectics is another factor that can affect the electronic properties of the investigated alloy system; that is, the electrical property change of the investigated alloys system is due to a combination of the intrinsic property difference between the two constituting phases and the change of eutectic microstructures that affect electron scattering. In addition, regarding the Mg-Mg2Ni alloy design for device applications, the electronic property and mechanical aspect should be well balanced.

Place, publisher, year, edition, pages
2017. Vol. 7, no 11, article id 489
Keywords [en]
magnesium, electronic properties, electronic structures, DFT
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-220282DOI: 10.3390/met7110489ISI: 000416803200039OAI: oai:DiVA.org:kth-220282DiVA, id: diva2:1169104
Note

QC 20171222

Available from: 2017-12-22 Created: 2017-12-22 Last updated: 2017-12-22Bibliographically approved

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Ahuja, Rajeev

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