scholarly journals Proton Dynamics in Palladium–Silver: An Inelastic Neutron Scattering Investigation

Molecules ◽  
2020 ◽  
Vol 25 (23) ◽  
pp. 5587
Author(s):  
Daniele Colognesi ◽  
Franz Demmel ◽  
Alessandra Filabozzi ◽  
Antonino Pietropaolo ◽  
Alfonso Pozio ◽  
...  

Proton dynamics in Pd77Ag23 membranes is investigated by means of various neutron spectroscopic techniques, namely Quasi Elastic Neutron Scattering, Incoherent Inelastic Neutron Scattering, Neutron Transmission, and Deep Inelastic Neutron Scattering. Measurements carried out at the ISIS spallation neutron source using OSIRIS, MARI and VESUVIO spectrometers were performed at pressures of 1, 2, and 4 bar, and temperatures in the 330–673 K range. The energy interval spanned by the different instruments provides information on the proton dynamics in a time scale ranging from about 102 to 10−4 ps. The main finding is that the macroscopic diffusion process is determined by microscopic jump diffusion. In addition, the vibrational density of states of the H atoms in the metal lattice has been determined for a number of H concentrations and temperatures. These measurements follow a series of neutron diffraction experiments performed on the same sample and thus provide a complementary information for a thorough description of structural and dynamical properties of H-loaded Pd-Ag membranes.

Author(s):  
B. Nicolai ◽  
R. Baddour-Hadjean ◽  
F. Fillaux ◽  
M. H. Baron ◽  
J. Tomkinson ◽  
...  

1993 ◽  
Vol 140 (3) ◽  
pp. 585-591 ◽  
Author(s):  
F. Fillaux ◽  
C. H. Cachet ◽  
H. Ouboumour ◽  
J. Tomkinson ◽  
C. Lévy‐Clément ◽  
...  

1995 ◽  
Vol 197 (1) ◽  
pp. 81-90 ◽  
Author(s):  
R. Baddour-Hadjean ◽  
F. Fillaux ◽  
N. Floquet ◽  
S. Belushkin ◽  
I. Natkaniec ◽  
...  

2014 ◽  
Vol 11 (97) ◽  
pp. 20140372 ◽  
Author(s):  
M. Trapp ◽  
M. Tehei ◽  
M. Trovaslet ◽  
F. Nachon ◽  
N. Martinez ◽  
...  

It is a long debated question whether catalytic activities of enzymes, which lie on the millisecond timescale, are possibly already reflected in variations in atomic thermal fluctuations on the pico- to nanosecond timescale. To shed light on this puzzle, the enzyme human acetylcholinesterase in its wild-type form and complexed with the inhibitor huperzine A were investigated by various neutron scattering techniques and molecular dynamics simulations. Previous results on elastic neutron scattering at various timescales and simulations suggest that dynamical processes are not affected on average by the presence of the ligand within the considered time ranges between 10 ps and 1 ns. In the work presented here, the focus was laid on quasi-elastic (QENS) and inelastic neutron scattering (INS). These techniques give access to different kinds of individual diffusive motions and to the density of states of collective motions at the sub-picoseconds timescale. Hence, they permit going beyond the first approach of looking at mean square displacements. For both samples, the autocorrelation function was well described by a stretched-exponential function indicating a linkage between the timescales of fast and slow functional relaxation dynamics. The findings of the QENS and INS investigation are discussed in relation to the results of our earlier elastic incoherent neutron scattering and molecular dynamics simulations.


1996 ◽  
Vol 81 (2-3) ◽  
pp. 211-214 ◽  
Author(s):  
R. Baddour-Hadjean ◽  
F. Fillaux ◽  
Ph. Colomban ◽  
A. Gruger ◽  
A. Regis ◽  
...  

2014 ◽  
Vol 118 (20) ◽  
pp. 10805-10813 ◽  
Author(s):  
Hsiu-Wen Wang ◽  
Mark J. DelloStritto ◽  
Nitin Kumar ◽  
Alexander I. Kolesnikov ◽  
Paul R. C. Kent ◽  
...  

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