Fig. 7: Mutually verified DFT calculation and H2 storage performance measurements. | Nature Communications

Fig. 7: Mutually verified DFT calculation and H2 storage performance measurements.

From: Experimentally validated design principles of heteroatom-doped-graphene-supported calcium single-atom materials for non-dissociative chemisorption solid-state hydrogen storage

Fig. 7: Mutually verified DFT calculation and H2 storage performance measurements.

a H2 adsorption/desorption curve as function of pressure. b H2 adsorption/desorption rate. c Cyclic performance test of H2 adsorption/desorption for N-G-Ca sample under T = 77 K and P = 1.2 MPa. d Design principle validated by normalized H2 storage capacity (Supplementary Table 5). Here, the thick yellow arrow in (d) represents the trend of H2 storage properties, and the thin arrow in (d) refer to the ideal X(-Y)-G-Ca model with the best H2 storage properties.

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