Insight into destabilization mechanism of Mg-based hydrides interstitially co-doped with nonmetals: a DFT study
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Title
Insight into destabilization mechanism of Mg-based hydrides interstitially co-doped with nonmetals: a DFT study
Authors
Keywords
Solid State and Materials
Journal
EUROPEAN PHYSICAL JOURNAL B
Volume 91, Issue 5, Pages -
Publisher
Springer Nature
Online
2018-05-02
DOI
10.1140/epjb/e2018-80520-4
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- (2009) J. F. Herbst et al. PHYSICAL REVIEW B
- Application of atmospheric pressure microwave plasma source for production of hydrogen via methane reforming
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