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Effect of transition-metal additives on hydrogen desorption kinetics of MgH2
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10.1063/1.4788746
/content/aip/journal/apl/102/3/10.1063/1.4788746
http://aip.metastore.ingenta.com/content/aip/journal/apl/102/3/10.1063/1.4788746

Figures

Image of FIG. 1.
FIG. 1.

Formation energies of native point defects in bulk MgH2 in different charge states as a function of Fermi level under H-poor conditions. The vertical solid line indicates the intrinsic Fermi level.

Image of FIG. 2.
FIG. 2.

Formation energies of TM impurities in MgH2 in different charge states, as a function of Fermi level under H-poor condition. Interstitial configurations of (a) Ti, (b) Co, (c) Fe, and (d) Ni are shown. The vertical dashed line refers to the intrinsic Fermi level.

Image of FIG. 3.
FIG. 3.

Formation energies of TM impurities in MgH2 in different charge states, as a function of Fermi level under H-poor condition. Substitutional configurations (on the Mg site) of (a) Ti, (b) Co, (c) Fe, and (d) Ni are shown. The vertical dashed line refers to the intrinsic Fermi level.

Tables

Generic image for table
Table I.

Formation energies (in eV) of native point defects at in different charged states.

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/content/aip/journal/apl/102/3/10.1063/1.4788746
2013-01-22
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Effect of transition-metal additives on hydrogen desorption kinetics of MgH2
http://aip.metastore.ingenta.com/content/aip/journal/apl/102/3/10.1063/1.4788746
10.1063/1.4788746
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