Fig. 5: Comparing the experimental PDF to optimized structural models.
From: Pt nanoparticles breathe and reversibly detach from Al2O3 in hydrogen
a Simulated PDF patterns of Pt55H91/Al2O3, Pt55H44/Al2O3 and Pt55/Al2O3 models and the difference with respect to Pt55/Al2O3 (diff). b Pt55H91/Al2O3, Pt55H44/Al2O3 and Pt55/Al2O3 models. c Experimental PDF patterns of PtAl immediately after the isothermal reduction in H2/Ar at 150 °C and after purging in Ar for 10 min and their difference. The box indicates the region fitted as described in (d). d Fitting procedure applied to a PDF pattern, corrected by a linear background subtraction, of PtAl collected during one ME cycle at 150 °C. The experimental pattern is fit with four Gaussian components.
