Figure 3 (IMAGE)

Advanced Institute for Materials Research (AIMR), Tohoku University

Figure 3

Caption

Descriptor-based design maps and compositional pathways for hydrogen storage materials. Predicted gravimetric density (w) and equilibrium pressure (Peq,RT) at room temperature for compositions interpolated between (a) Mg [(b) Ni] and other metals, tracing transitions from saline(interstitial)-type hydrides, respectively. (c) Compositional map anchored on Be. Three US-DOE benchmarks are indicated; red, dark green, and blue boxes represent the ultimate target converted from operating ambient temperature via van't Hoff relationships, that for internal combustion engine applications, and that for fuel cell applications, respectively. Each dot in (a)-(c) represents a 10-atomic-percentage substitution step (e.g., Be → Be0.1Na0.9 → ... → Na); color gradients follow electronegativity values χ as mapped in (d). (d) Distribution of elemental descriptors across metals. 

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©Seong-Hoon Jang et al.

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