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DFT characterization of adsorbed NH(x) species on Pt(100) and Pt(111) surfaces.
DFT calculations using plane waves have been performed to systematically investigate the adsorption and relative stability of ammonia and its dehydrogenated species on Pt(111) and Pt(100) surfaces, and the type of platinum surface determines the most stable NH(x) fragment.
Selectivity control for the catalytic 1,3-butadiene hydrogenation on Pt(111) and Pd(111) surfaces: Radical versus closed-shell intermediates.
The adsorption structures for the various mono- and dihydrogenated butadiene intermediates adsorbed on both metal surfaces are reported and radical species are more clearly stabilized on Pt than on Pt.
Ammonia dehydrogenation over platinum-group metal surfaces. structure, stability, and reactivity of adsorbed NHx species
Periodic DFT calculations using plane waves have been applied to comparatively study the adsorption and decomposition of ammonia on the (111) and (100) surfaces of platinum-group metals (Pd, Rh, Pt).
Tuning the shape of nanoparticles to control their catalytic properties: selective hydrogenation of 1,3-butadiene on Pd/Al2O3.
Shape-controlled Pd nanoparticles supported on powder alumina are more efficient for selective butadiene hydrogenation to butene when they exhibit high fractions of (111) facets.
Iron bioavailability of four iron sources used to fortify infant cereals, using anemic weaning pigs as a model.
Iron (Fe) deficiency anemia in young children is a global health concern which can be reduced by Fe fortification of foods. Cereal is often one of the first foods given to infants, providing adequate