Methane Adsorption on Aggregates of Fullerenes: Site-Selective Storage Capacities and Adsorption Energies

Methane adsorption on positively charged aggregates of C(60) 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 adsorpti...

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Autores principales: Kaiser, Alexander, Zöttl, Samuel, Bartl, Peter, Leidlmair, Christian, Mauracher, Andreas, Probst, Michael, Denifl, Stephan, Echt, Olof, Scheier, Paul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: WILEY-VCH Verlag 2013
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3799018/
https://www.ncbi.nlm.nih.gov/pubmed/23744834
http://dx.doi.org/10.1002/cssc.201300133
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author Kaiser, Alexander
Zöttl, Samuel
Bartl, Peter
Leidlmair, Christian
Mauracher, Andreas
Probst, Michael
Denifl, Stephan
Echt, Olof
Scheier, Paul
author_facet Kaiser, Alexander
Zöttl, Samuel
Bartl, Peter
Leidlmair, Christian
Mauracher, Andreas
Probst, Michael
Denifl, Stephan
Echt, Olof
Scheier, Paul
author_sort Kaiser, Alexander
collection PubMed
description Methane adsorption on positively charged aggregates of C(60) 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.
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spelling pubmed-37990182013-10-23 Methane Adsorption on Aggregates of Fullerenes: Site-Selective Storage Capacities and Adsorption Energies Kaiser, Alexander Zöttl, Samuel Bartl, Peter Leidlmair, Christian Mauracher, Andreas Probst, Michael Denifl, Stephan Echt, Olof Scheier, Paul ChemSusChem Full Papers Methane adsorption on positively charged aggregates of C(60) 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. WILEY-VCH Verlag 2013-07 2013-06-06 /pmc/articles/PMC3799018/ /pubmed/23744834 http://dx.doi.org/10.1002/cssc.201300133 Text en © 2013 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. http://creativecommons.org/licenses/by/2.5/ Re-use of this article is permitted in accordance with the Creative Commons Deed, Attribution 2.5, which does not permit commercial exploitation.
spellingShingle Full Papers
Kaiser, Alexander
Zöttl, Samuel
Bartl, Peter
Leidlmair, Christian
Mauracher, Andreas
Probst, Michael
Denifl, Stephan
Echt, Olof
Scheier, Paul
Methane Adsorption on Aggregates of Fullerenes: Site-Selective Storage Capacities and Adsorption Energies
title Methane Adsorption on Aggregates of Fullerenes: Site-Selective Storage Capacities and Adsorption Energies
title_full Methane Adsorption on Aggregates of Fullerenes: Site-Selective Storage Capacities and Adsorption Energies
title_fullStr Methane Adsorption on Aggregates of Fullerenes: Site-Selective Storage Capacities and Adsorption Energies
title_full_unstemmed Methane Adsorption on Aggregates of Fullerenes: Site-Selective Storage Capacities and Adsorption Energies
title_short Methane Adsorption on Aggregates of Fullerenes: Site-Selective Storage Capacities and Adsorption Energies
title_sort methane adsorption on aggregates of fullerenes: site-selective storage capacities and adsorption energies
topic Full Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3799018/
https://www.ncbi.nlm.nih.gov/pubmed/23744834
http://dx.doi.org/10.1002/cssc.201300133
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