Diffusion of Hydrides in Palladium Nanoclusters. A Ring-Polymer Molecular Dynamics Study of Quantum Finite Size Effects
Author:
Affiliation:
1. Laboratoire de Spectrométrie Ionique et Moléculaire (LASIM), Université Claude Bernard Lyon 1 and Centre National de la Recherche Scientifique (CNRS) UMR 5579, Bát. A. Kastler, 43 Boulevard du 11 Novembre 1918, F69622 Villeurbanne, France
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct900554r
Reference68 articles.
1. Hydrogen in Metals II
2. Hydrogen in Metals III
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2. Dynamics of Atomic Hydrogen in Palladium Probed by Neutron Spectroscopy;Journal of the Physical Society of Japan;2020-05-15
3. Generalized Form for Finite-Size Corrections in Mutual Diffusion Coefficients of Multicomponent Mixtures Obtained from Equilibrium Molecular Dynamics Simulation;Journal of Chemical Theory and Computation;2020-04-27
4. Submersion Kinetics of Ionized Impurities into Helium Droplets by Ring-Polymer Molecular Dynamics Simulations;Challenges and Advances in Computational Chemistry and Physics;2017
5. Hydrogen diffusion in bulk and nanocrystalline palladium: A quasielastic neutron scattering study;Physical Review B;2016-08-29
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