A Simulation Study of Hydrogen in Metal–Organic Frameworks

Molecular simulations have been used to evaluate the effect exerted by metal centres on the adsorption and diffusion of hydrogen in metal–organic frameworks. Simulations were carried out for the MIL-53 (Cr and Al) structures and the isostructural vanadium analogue MIL-47 at room temperature. To vali...

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Bibliographic Details
Main Authors: Rocío Bueno-Pérez, Elena García-Pérez, Juan José Gutiérrez-Sevillano, Patrick J. Merkling, Sofía Calero
Format: Article
Language:English
Published: SAGE Publishing 2010-11-01
Series:Adsorption Science & Technology
Online Access:https://doi.org/10.1260/0263-6174.28.8-9.823
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