Theoretical investigation of Zr2PbC, (V0.25Zr0.75)2PbC, (V0.5Zr0.5)2PbC, V0.75Zr0.25)2PbC, and V2PbC MAX phases: a DFT based study
The structural, elastic, and electronic properties of new nanolaminates (V0.25Zr0.75)2PbC, (V0.5Zr0.5)2PbC, (V0.75Zr0.25)2PbC, and V2PbC are investigated for the first time by applying density functional theory. These properties are investigated at different V and Zr concentrations in Zr2PbC at ambi...
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Main Authors: | , , , , , |
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Format: | Article |
Published: |
Elsevier Ltd
2021
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Subjects: | |
Online Access: | http://eprints.utm.my/id/eprint/94096/ http://dx.doi.org/10.1016/j.mtcomm.2021.102397 |
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Institution: | Universiti Teknologi Malaysia |