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Metals 2017, 7(11), 489; https://doi.org/10.3390/met7110489

Revisiting Mg–Mg2Ni System from Electronic Perspective

1
Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials (Ministry of Education), Shandong University, Jinan 250061, China; Suzhou Institute of Shandong University, Suzhou 215000, China
2
Key Laboratory of Applied Technology of Sophisticated Analytical Instruments, Shandong Academy of Sciences, Jinan 250014, China
3
Condensed Matter Theory, Department of Physics and Astronomy, Ångström Laboratory, Uppsala University, SE-752 37 Uppsala, Sweden
4
Department of Materials Science and Engineering, KTH Royal Institute of Technology, S-100 44 Stockholm, Sweden
*
Author to whom correspondence should be addressed.
Received: 14 September 2017 / Revised: 1 November 2017 / Accepted: 6 November 2017 / Published: 9 November 2017
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Abstract

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. View Full-Text
Keywords: magnesium; electronic properties; electronic structures; DFT magnesium; electronic properties; electronic structures; DFT
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).
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Qian, Z.; Guo, W.; Jiang, G.; Xu, S.; Ahuja, R.; Liu, X. Revisiting Mg–Mg2Ni System from Electronic Perspective. Metals 2017, 7, 489.

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