An atomistic model of a disordered nanoporous solid: Interplay between Monte Carlo simulations and gas adsorption experiments

A combination of physisorption measurements and theoretical simulations was used to derive a plausible model for an amorphous nanoporous material, prepared by Friedel-Crafts alkylation of tetraphenylethene (TPM), leading to a crosslinked polymer of TPM connected by methylene bridges. The model was r...

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Bibliographic Details
Main Authors: Lorenzo Canti, Alberto Fraccarollo, Giorgio Gatti, Mina Errahali, Leonardo Marchese, Maurizio Cossi
Format: Article
Language:English
Published: AIP Publishing LLC 2017-04-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.4982069