https://dx.doi.org/10.1002/cssc.201300133">
 

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Abstract

Methane adsorption on positively charged aggregates of C60 is investigated by both mass spectrometry and computer simulations. Calculated adsorption energies of 118–281 meV are in the optimal range for high‐density storage of natural gas. Groove sites, dimple sites, and the first complete adsorption shells are identified experimentally and confirmed by molecular dynamics simulations, using a newly developed force field for methane–methane and fullerene–methane interaction. The effects of corrugation and curvature are discussed and compared with data for adsorption on graphite, graphene, and carbon nanotubes.

Department

Physics

Publication Date

6-6-2013

Journal Title

ChemSusChem

Publisher

Wiley

Digital Object Identifier (DOI)

https://dx.doi.org/10.1002/cssc.201300133

Document Type

Article

Rights

© 2013 The Authors. Published by Wiley‐VCH Verlag GmbH & Co. KGaA.

Comments

This is an article published by Wiley in ChemSusChem in 2013, available online: https://dx.doi.org/10.1002/cssc.201300133

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