Fig. 3: H2/D2 storage performances of chem-ZrCo and smelting-ZrCo.
From: Single-crystal ZrCo nanoparticle for advanced hydrogen and H-isotope storage
a Isothermal hydrogen/deuterium absorption curves at room temperature. b Formation energy (Ef) of single Hi/Di in the surface/subsurface of ZrCo (110) (red line indicates the diffusion path of Hi/Di). The yellow, blue, and green atoms correspond to H, Co and Zr atoms, respectively. c Ef of Hi in ZrCo without (H5 site, shown in Supplementary Fig. 33) and with defects (H1-H4 sites, shown in the inset). The blue and green atoms correspond to Co and Zr atoms, respectively. Green line and blue line correspond to the Co and Zr vacancies, respectively. d Variations of ΔH and ΔS with ZrCo particle size. Yellow region: chem-ZrCo, blue region: smelting-ZrCo. e TPD curves of ZrCo alloys. f The relationship of dehydrogenation temperatures (TDSC, TTPD) with reciprocal of particle radius (1/R). Yellow region: nanoscale ZrCo particles; Blue region: microscale ZrCo particles.
