Fig. 2: Disproportionation of chem-ZrCo and smelting-ZrCo.
From: Single-crystal ZrCo nanoparticle for advanced hydrogen and H-isotope storage
a Disproportionation kinetics of ZrCo alloys at 500 °C and 0.7 MPa H2 or D2. ZC-67nm after annealing treatment is denoted as ZC-67nm-A. Inset: corresponding disproportionation ratio. b Variations of particle size and crystallite size of as-synthesized ZrCo alloys. Yellow region: chem-ZrCo, blue region: smelting-ZrCo. c, d Formation energy (Ef) of adding one H atom on the surface, subsurface and grain boundary of ZrCoH3. The right side illustrates the positions of the added H in the ZrCoH3 (002). The yellow, blue and green atoms correspond to H, Co and Zr atoms, respectively. Two different background colors indicate different orientations. e–h Bright-field TEM images of ZC-67nm and ZC-177μm after disproportionation reactions for 15 min and 1 h. The ZrH2 phase in SAED is circled by yellow color, and highlighted in the dark-field TEM images.
