Hydrogen Rotational and Translational Diffusion in Calcium Borohydride from Quasielastic Neutron Scattering and DFT Calculations

2010 ◽  
Vol 114 (47) ◽  
pp. 20249-20257 ◽  
Author(s):  
D. Blanchard ◽  
M. D. Riktor ◽  
J. B. Maronsson ◽  
H. S. Jacobsen ◽  
J. Kehres ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Neutron Scattering ◽  
Translational Diffusion ◽  
Quasielastic Neutron ◽  
Quasielastic Neutron Scattering ◽  
Calcium Borohydride

ANISOTROPY OF TRANSLATIONAL DIFFUSION IN PREMELTED METHANE FILMS

1997 ◽  
Vol 04 (05) ◽  
pp. 863-868 ◽  
Author(s):  
P. STOCKER ◽  
J.-M. GAY ◽  
M. BIENFAIT ◽  
G. CODDENS
Keyword(s):  
Neutron Scattering ◽  
Translational Diffusion ◽  
Surface Melting ◽  
Diffusion Anisotropy ◽  
Quasielastic Neutron ◽  
Quasielastic Neutron Scattering

Surface melting of the (111) face of methane films adsorbed on graphite is investigated by quasielastic neutron scattering with special attention paid to translational diffusion within the liquid-like layer parallel and normal to the surface. The comparison of the experimental spectra measured in different geometries clearly shows diffusion anisotropy. Simulations of the data provide an estimation of the anisotropy as a function of temperature.

Hindered Rotational Energy Barriers of BH4– Tetrahedra in β-Mg(BH4)2 from Quasielastic Neutron Scattering and DFT Calculations

2012 ◽  
Vol 116 (2) ◽  
pp. 2013-2023 ◽  
Author(s):  
D. Blanchard ◽  
J. B. Maronsson ◽  
M. D. Riktor ◽  
J. Kheres ◽  
D. Sveinbjörnsson ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Neutron Scattering ◽  
Rotational Energy ◽  
Energy Barriers ◽  
Quasielastic Neutron ◽  
Quasielastic Neutron Scattering

Hydrogen Motion In Lanthanum Hydrides By Means Of Quasielastic Neutron Scattering

1998 ◽  
Vol 513 ◽  
Author(s):  
C. Karmonik ◽  
T. J. Udovic ◽  
J. J. Rush
Keyword(s):  
Neutron Scattering ◽  
Long Range ◽  
Powder Diffraction ◽  
Octahedral Site ◽  
Translational Diffusion ◽  
Neutron Powder Diffraction ◽  
Neutron Spectra ◽  
Different Temperatures ◽  
Quasielastic Neutron ◽  
Quasielastic Neutron Scattering

ABSTRACTThe hydrogen dynamics in LaHx was studied for different concentrations x ≥ 2.5 at different temperatures by quasielastic neutron scattering. The neutron spectra show the existence of both long-range translational diffusion and localized motion. The prefactor of the jump rate for the first process exhibits a maximum around x= 2.75. The radius for the second motion is in agreement with neutron powder diffraction measurements which support a localized motion of H confined in an octahedral site.

scholarly journals High Hydrogen Mobility in an Amide–Borohydride Compound Studied by Quasielastic Neutron Scattering

2021 ◽  
pp. 2100620
Author(s):  
Neslihan Aslan ◽  
Gökhan Gizer ◽  
Claudio Pistidda ◽  
Martin Dornheim ◽  
Martin Müller ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
High Hydrogen ◽  
Quasielastic Neutron ◽  
Quasielastic Neutron Scattering
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