Extended Data Fig. 5: Calculated and experimental Vf.u. of hcp and fcc PdHx.
From: Metastable hexagonal close-packed palladium hydride in liquid cell TEM
a, b, Comparison of Vf.u. of the nanoparticles and bulk phase for hcp (a) and fcc (b) PdHx. DFT-calculated and experimental volumes were used for bulk hcp PdHx and fcc PdHx, respectively. In the DFT result, H atoms are placed at the tetrahedral sites after all the available octahedral sites are filled for x greater than 1. The H content x in the nanoparticles, which is unknown, is deduced from the volume of the corresponding structure in bulk. A linear volume change with respect to x is assumed for the interpolated x values. The Vf.u. of both hcp and fcc nanoparticles increased with increasing EDR owing to the corresponding increase in H concentration in the solution. Error bars represent standard deviations. c, Total number of particles used for deriving Vf.u..
