Full longitudinal acoustic mode (LAM) spectrum of an N-alkane: comparison of observed and computed incoherent inelastic neutron scattering spectrum of N-octadecane

Article Abstract:

A study was conducted to characterize the incoherent inelastic neutron scattering spectrum of solid n-octadecane below 600 cm(super -1). The spectrum was compared against a scaled HF ab initio computation. Results indicated that the full set of longitudinal acoustic modes can be obtained from data associated with the evaluation against normal model computations that do not require assumptions on transferability.

Research, Usage, Spectrum analysis, Spectroscopy, Alkanes

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Hydrogen dynamics in [Na.sub.3]Al[H.sub.6]: A combined density functional theory and quasielastic neutron scattering study

Article Abstract:

A combination of density functional theory (DFT) calculations and quasielastic neutron scattering is used to study hydrogen dynamics in doped and undoped [Na.sub.3]Al[H.sub.6]. The results have shown that mobile hydrogen fraction is low for both undoped and Ti-doped [Na.sub.3]Al[H.sub.6] and hence there will be no improved hydrogen diffusion due to bulk-substituted titanium.

Density functionals, Density functional theory, Mechanical properties, Chemical properties, Hydrogenation, Hydrides

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Hydrogen spillover on carbon- supported metal catalysts studied by inelastic neutron scattering. Surface vibrational states and hydrogen riding modes

Article Abstract:

Hydrogen spillover on carbon supported precious metal catalysts are investigated with inelastic neutrons scattering (INS) spectroscopy. The INS experiments directly demonstrated hydrogen spillover to the carbon support of these metal catalysts.

Spectra, Metal catalysts

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