Endre søk
RefereraExporteraLink to record
Permanent link

Direct link
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annet format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annet språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf
Carbon Nanomaterials as Catalysts for Hydrogen Uptake and Release in NaAlH4
Vise andre og tillknytning
2009 (engelsk)Inngår i: Nano letters (Print), ISSN 1530-6984, E-ISSN 1530-6992, Vol. 9, nr 4, s. 1501-1505Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

A synergistic approach involving experiment and first-principles theory not only shows that carbon nanostructures can be used as catalysts for hydrogen uptake and release in complex metal hydrides such as sodium alanate, NaAlH4, but also provides an unambiguous understanding of how the catalysts work. Here we show that the stability of NaAlH4 originates with the charge transfer from Na to the AlH4 moiety, resulting in an ionic bond between Na+ and AlH4- and a covalent bond between Al and H. Interaction of NaAlH4 with an electronegative substrate such as carbon fullerene or nanotube affects the ability of Na to donate its charge to AlH4, consequently weakening the Al-H bond and causing hydrogen to desorb at lower temperatures as well as facilitating the absorption of H-2 to reverse the dehydrogenation reaction. In addition, based on our experimental observations and theoretical calculations it appears the curvature of the carbon nanostructure plays a role in the catalytic process. Ab initio molecular dynamics simulation further reveals the time evolution of the charge transfer process.

sted, utgiver, år, opplag, sider
2009. Vol. 9, nr 4, s. 1501-1505
Emneord [en]
sodium aluminum hydrides, ti-doped naalh4, storage materials, oxide, clusters, nanotubes, alanates, behavior, transformations, desorption
Identifikatorer
URN: urn:nbn:se:kth:diva-18339DOI: 10.1021/nl803498eISI: 000265030000041Scopus ID: 2-s2.0-65249146242OAI: oai:DiVA.org:kth-18339DiVA, id: diva2:336385
Merknad
QC 20100525Tilgjengelig fra: 2010-08-05 Laget: 2010-08-05 Sist oppdatert: 2017-12-12bibliografisk kontrollert

Open Access i DiVA

Fulltekst mangler i DiVA

Andre lenker

Forlagets fulltekstScopus

Søk i DiVA

Av forfatter/redaktør
Ahuja, Rajeev
Av organisasjonen
I samme tidsskrift
Nano letters (Print)

Søk utenfor DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric

doi
urn-nbn
Totalt: 80 treff
RefereraExporteraLink to record
Permanent link

Direct link
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annet format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annet språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf