Strain-induced stabilization of Al functionalization in graphene oxide nanosheet for enhanced NH{sub 3} storage

Journal Article · Mon Jun 17 00:00:00 EDT 2013 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4811494· OSTI ID:22163046

Li, Yunguo ^[1]; De Sarkar, Abir ^[1]; Pathak, Biswarup ^[2]; Ahuja, Rajeev ^[1]

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1. Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology (KTH), S-100 44 Stockholm (Sweden)
2. Department of Chemistry, Indian Institute of Technology, Indore 452017 (India)

Strain effects on the stabilization of Al ad-atom on graphene oxide (GO) nanosheet as well as its implications for NH{sub 3} 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 NH{sub 3} molecules, while it binds no NH{sub 3} molecule in unstrained condition.

• OSTI ID: 22163046
• Journal Information: Applied Physics Letters, Vol. 102, Issue 24; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

77 NANOSCIENCE AND NANOTECHNOLOGY
ALUMINIUM
AMMONIA
ATOMS
CARBON
CHARGE EXCHANGE
GRAPHENE
MOLECULES
NANOSTRUCTURES
OXIDES
RESIDUAL STRESSES
STABILITY
STABILIZATION
STORAGE
STRAINS
TENSILE PROPERTIES