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Strain-induced stab...
Strain-induced stabilization of Al functionalization in graphene oxide nanosheet for enhanced NH3 storage
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- Li, Yunguo (författare)
- KTH,Tillämpad materialfysik
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- De Sarkar, Abir (författare)
- KTH,Tillämpad materialfysik
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Pathak, Biswarup (författare)
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- Ahuja, Rajeev (författare)
- Uppsala universitet,KTH,Tillämpad materialfysik,Materialteori
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(creator_code:org_t)
- American Institute of Physics (AIP), 2013
- 2013
- Engelska.
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Ingår i: Applied Physics Letters. - : American Institute of Physics (AIP). - 0003-6951 .- 1077-3118. ; 102:24, s. 243905-
- Relaterad länk:
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http://uu.diva-porta...
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https://uu.diva-port... (primary) (Raw object)
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Nyckelord
- First-principles calculation
- Functionalizations
- Graphene oxide nanosheet
- Graphene oxide nanosheets
- Strain effect
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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