2007: A GRAND CANONICAL MONTE-CARLO STUDY OF H2 ADSORPTION IN PRISTINE AND Li-DOPED CARBON REPLICAS OF FAUJASITE ZEOLITE

Abstract

The first step of this work was to generate using atomistic simulation, a porous carbon material with an ordered pore network using the faujasite Y zeolite as a templating matrix. For this purpose, we used the Grand Canonical Monte-Carlo (GCMC) technique in which the carbon-carbon interactions were described with reactive bond-order potential assuming the… (More)

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@inproceedings{Roussel20072007AG, title={2007: A GRAND CANONICAL MONTE-CARLO STUDY OF H2 ADSORPTION IN PRISTINE AND Li-DOPED CARBON REPLICAS OF FAUJASITE ZEOLITE}, author={Thomas J. Roussel and Roland J.-M. Pellenq and Christophe Bichara}, year={2007} }