Volume 103, Number 2, July 2013
|Number of page(s)||6|
|Section||Interdisciplinary Physics and Related Areas of Science and Technology|
|Published online||13 August 2013|
Metal-decorated graphene oxide for ammonia adsorption
1 Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology (KTH) S-100 44 Stockholm, Sweden, EU
2 Condensed Matter Theory Group, Department of Physics and Astronomy, Box 516, Uppsala University S-751 20 Uppsala, Sweden, EU
3 Department of Chemistry, Indian Institute of Technology Indore - Khandwa Road, Indore, 452017, India
4 Pakistan Atomic Energy Commission (PAEC) - P.O. Box 2151, Islamabad, Pakistan
Received: 18 January 2013
Accepted: 17 July 2013
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.
PACS: 88.30.R- – Hydrogen storage / 88.30.rf – Organics / 68.43.-h – Chemisorption/physisorption: adsorbates on surfaces
© EPLA, 2013
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