Metal-decorated graphene oxide for ammonia adsorption
2013 (English)In: Europhysics letters, ISSN 0295-5075, E-ISSN 1286-4854, Vol. 103, no 2, 28007- p.Article in journal (Refereed) Published
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.
Augmented-Wave Method, Graphite Oxide, Hydrogen Storage, Solar-Cells, Semiconductor, Transparent, Composites, Electrodes, Model
IdentifiersURN: urn:nbn:se:kth:diva-129475DOI: 10.1209/0295-5075/103/28007ISI: 000323934500034ScopusID: 2-s2.0-84883192747OAI: oai:DiVA.org:kth-129475DiVA: diva2:652566
FunderFormasSwedish Research CouncilThe Wenner-Gren Foundation
QC 201310012013-10-012013-09-302013-10-01Bibliographically approved