In:
Applied Physics Letters, AIP Publishing, Vol. 102, No. 24 ( 2013-06-17)
Abstract:
Strain effects on the stabilization of Al ad-atom on graphene oxide (GO) nanosheet as well as its implications for NH3 storage have been investigated using first-principles calculations. Tensile strain is found to be very effective in stabilizing the Al ad-atom on GO. It strengthens the C–O bonds through an enhanced charge transfer from C to O atoms. Interestingly, Al's stability is governed by the bond strength of C-O rather than that of Al-O. Optimally strained Al-functionalized GO binds up to 6 NH3 molecules, while it binds no NH3 molecule in unstrained condition.
Type of Medium:
Online Resource
ISSN:
0003-6951
,
1077-3118
Language:
English
Publisher:
AIP Publishing
Publication Date:
2013
detail.hit.zdb_id:
211245-0
detail.hit.zdb_id:
1469436-0
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