Modeling and stabilities of Mg/MgH2 interfaces: A first-principles investigation
We have theoretically investigated the modeling and the structural stabilities of various Mg/MgH2 interfaces, i.e. Mg(101¯0)/MgH2(210), Mg(0001)/MgH2(101) and Mg(101¯0)/MgH2(101), and provided illuminating insights into Mg/MgH2 interface. Specifically, the main factors, which impact the interfacial...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2014-07-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4886384 |