Hydride destabilization in core–shell nanoparticles

Influences and mechanisms of graphene-doping on dehydrogenation properties of MgH2: Experimental and first-principles studies

“…Among of them, nanostructuring [3,4], chemical alloying [5,6], catalyst doping [7,8], surface modifying [9,10], applying stress/strain [11,12], etc. exhibited pronounced effects in enhancing the dehydrogenation characteristics of MgH 2 .…”

Interface Enthalpy-Entropy Competition in Nanoscale Metal Hydrides

“…They will be compared to the results obtained on multilayered, nanoconfined Mg/Ti/Pd nanodots (NDs) [5] sketched in Figure 3. of the corresponding free NPs [6]. The thermodynamical bias in this case is proportional to the volume strain in the constrained hydride NPs:…”

“…The hydride formation enthalpy of core-shell nanoparticles (NPs) subjected to elastic constraints, ∆H 0 constr , is less negative with respect to ∆H 0 f ree of the corresponding free NPs [6]. The thermodynamical bias in this case is proportional to the volume strain V in the constrained hydride NPs:…”

“…The workhorse for the characterization of the thermodynamics of hydride formation are the pressure-composition isotherms (PCI). All real systems exhibit some hysteresis, i.e., a pressure shift between the absorption and desorption branches of a PCI cycle, due to coherency strains [6,7]. This is called intrinsic hysteresis and is represented in Figure 1a.…”

Stress effects on the kinetics of hydrogen adsorption in a spherical particle: An analytical model

“…Recently, these effects have been observed experimentally in individual Pd nanoparticles [8] and related studies have been conducted in Refs. [9] and [10].…”