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Inorganics 2018, 6(1), 13; doi:10.3390/inorganics6010013

Interface Enthalpy-Entropy Competition in Nanoscale Metal Hydrides

Department of Physics and Astronomy, Alma Mater Studiorum Università di Bologna, Viale C. Berti-Pichat 6/2, 40127 Bologna, Italy
Laboratory of Materials for Renewable Energy, Institute of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne, Valais/Wallis, Rue de l’Industrie 17, 440 1951 Sion, Switzerland
Authors to whom correspondence should be addressed.
Received: 2 November 2017 / Revised: 5 January 2018 / Accepted: 8 January 2018 / Published: 12 January 2018
(This article belongs to the Special Issue Functional Materials Based on Metal Hydrides)
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We analyzed the effect of the interfacial free energy on the thermodynamics of hydrogen sorption in nano-scaled materials. When the enthalpy and entropy terms are the same for all interfaces, as in an isotropic bi-phasic system, one obtains a compensation temperature, which does not depend on the system size nor on the relative phase abundance. The situation is different and more complex in a system with three or more phases, where the interfaces have different enthalpy and entropy. We also consider the possible effect of elastic strains on the stability of the hydride phase and on hysteresis. We compare a simple model with experimental data obtained on two different systems: (1) bi-phasic nanocomposites where ultrafine TiH2 crystallite are dispersed within a Mg nanoparticle and (2) Mg nanodots encapsulated by different phases. View Full-Text
Keywords: MgH2; TiH2; interface; entropy; enthalpy; compensation; destabilization; thermodynamics; nanoparticles; nanodots MgH2; TiH2; interface; entropy; enthalpy; compensation; destabilization; thermodynamics; nanoparticles; nanodots

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Patelli, N.; Calizzi, M.; Pasquini, L. Interface Enthalpy-Entropy Competition in Nanoscale Metal Hydrides. Inorganics 2018, 6, 13.

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