Fig. 4: Phase changes at different states and the electronic structures of catalytic phases. | Nature Communications

Fig. 4: Phase changes at different states and the electronic structures of catalytic phases.

From: Atomic reconstruction for realizing stable solar-driven reversible hydrogen storage of magnesium hydride

Fig. 4

a XRD patterns of MgH2 under the catalysis of Cu1Ni1 at different states. b Contour plots of XRD patterns during re-dehydrogenation process of MgH2 under the catalysis of Cu1Ni1. c Band structures of Ni-orbitals and d partial densities of states (PDOS) of corresponding atoms for Mg2NiH4. e Band structures of Ni(Cu)-orbitals and f partial densities of states (PDOS) of corresponding atoms for Mg2Ni(Cu)H4. Source data are provided as a source data file.

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