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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)
Document Type
Article
Recommended Citation
A. Kaiser, S. Zöttl, P. Bartl, C. Leidlmair, A. Mauracher, M. Probst, S. Denifl, O. Echt, and P. Scheier, Methane Adsorption on Aggregates of Fullerenes: Site-Selective Storage Capacities and Adsorption Energies, ChemSusChem 6 (2013) 1235 – 1244, DOI: 10.1002/cssc.201300133, June 2013
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