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Metal-decorated graphene oxide for ammonia adsorption
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
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2013 (English)In: Europhysics letters, ISSN 0295-5075, E-ISSN 1286-4854, Vol. 103, no 2, 28007- p.Article in journal (Refereed) Published
Abstract [en]

Based on the first-principles density functional theory, we have studied the stability, electronic structure and ammonia storage capacity of metal-decorated graphene oxide (GO). Metal atoms (Mg and Li) are bonded strongly to the epoxy oxygen atoms on the surface of the GO sheet, which can act as high-surface-area adsorbent for the ammonia uptake and release. Each metal atom can bind several ammonia molecules around itself with a reasonable binding energy. We find metal-decorated GO can store up to tens of moles of ammonia per kilogram, which is far better than the recently reported excellent ammonia adsorption by GO.

Place, publisher, year, edition, pages
2013. Vol. 103, no 2, 28007- p.
Keyword [en]
Augmented-Wave Method, Graphite Oxide, Hydrogen Storage, Solar-Cells, Semiconductor, Transparent, Composites, Electrodes, Model
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-129475DOI: 10.1209/0295-5075/103/28007ISI: 000323934500034Scopus ID: 2-s2.0-84883192747OAI: oai:DiVA.org:kth-129475DiVA: diva2:652566
Funder
FormasSwedish Research CouncilThe Wenner-Gren Foundation
Note

QC 20131001

Available from: 2013-10-01 Created: 2013-09-30 Last updated: 2017-12-06Bibliographically approved

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