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  4. Quantum Dynamics of H-2 and D-2 Confined in Hydrate Structures as a Function of Pressure and Temperature
 
research article

Quantum Dynamics of H-2 and D-2 Confined in Hydrate Structures as a Function of Pressure and Temperature

Ranieri, Umbertoluca  
•
Koza, Michael Marek
•
Kuhs, Werner F.
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January 24, 2019
Journal Of Physical Chemistry C

We present an extensive study of the quantum dynamics of molecular hydrogen trapped within the nanocavities of two hydrate structures at low temperatures, namely, clathrate structure II and filled ice structure Cl. By inelastic neutron scattering measurements, we investigate a (i) simple H-2 hydrate in clathrate structure II at ambient and high pressure and different temperatures, (ii) binary He-H-2 hydrate in clathrate structure II at high pressure and different temperatures, (iii) simple D-2 hydrate in clathrate structure II at ambient pressure and different temperatures, and (iv) simple H-2 hydrate in structure Cl at high pressure and different temperatures. Molecular quantum rotations and translations, as well as combinations of these are identified in the spectra for hydrogen molecules in the small and large cages of clathrate structure II and in the channels of structure Cl and their energy is provided.

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Type
research article
DOI
10.1021/acs.jpcc.8b11606
Web of Science ID

WOS:000457067500041

Author(s)
Ranieri, Umbertoluca  
Koza, Michael Marek
Kuhs, Werner F.
Gaal, Richard  
Klotz, Stefan
Falenty, Andrzej
Wallacher, Dirk
Ollivier, Jacques
Gillet, Philippe  
Bove, Livia E.  
Date Issued

2019-01-24

Publisher

AMER CHEMICAL SOC

Published in
Journal Of Physical Chemistry C
Volume

123

Issue

3

Start page

1888

End page

1903

Subjects

Chemistry, Physical

•

Nanoscience & Nanotechnology

•

Materials Science, Multidisciplinary

•

Chemistry

•

Science & Technology - Other Topics

•

Materials Science

•

neutron-scattering

•

hydrogen molecules

•

large cage

•

clathrate

•

clusters

•

anharmonicity

•

motions

•

storage

•

state

•

hd

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
EPSL  
LQM  
Available on Infoscience
June 19, 2019
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/158293
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