Fig. 2: Synthesis and structural characterizations of the 20 wt% BaH/MgO sample.

a Synthetic scheme of the atomically dispersed barium hydride on MgO support. b XRD patterns of bare MgO, BaH2 and BaH/MgO. c A typical HR-TEM image of BaH/MgO. White arrows indicate the lattice spacing (0.247 nm) between the (111) planes of MgO. d AC-HAADF-STEM micrograph of BaH/MgO with a scale bar of 2 nm. e HAADF-STEM image and EDX elemental mappings of BaH/MgO. f EXAFS spectra of BaH/MgO and a BaO reference at the Ba–L3 absorption edge. g Solid-state 1H NMR spectra of BaH2, MgO and BaH/MgO. The signals in the spectra of MgO at −0.7 ppm and −1.4 ppm are ascribed to isolated hydroxyl groups45. Pristine BaH2 shows two peaks at 9.7 ppm and 10.6 ppm, which are attributed to the hydrides (H‾) occupying two nonequivalent sites, i.e., tetrahedral (HT) and octahedral (HO) sites54,55.