Logo: to the web site of Uppsala University

uu.sePublications from Uppsala University
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Li-Na ternary amidoborane for hydrogen storage: experimental and first-principles study
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Show others and affiliations
2012 (English)In: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 41, no 16, p. 4754-4764Article in journal (Refereed) Published
Abstract [en]

Li-Na ternary amidoborane, Na[Li(NH2BH3)(2)], was recently synthesized by reacting LiH and NaH with NH3BH3. This mixed-cation amidoborane shows improved dehydrogenation performance compared to that of single-cation amidoboranes, i.e., LiNH2BH3 and NaNH2BH3. In this paper, we synthesized the Li-Na ternary amidoborane by blending and re-crystallizing equivalent LiNH2BH3 and NaNH2BH3 in tetrahydrofuran (THF), and employed first-principles calculations and the special quasirandom structure (SQS) method to theoretically explore the likelihood for the existence of Li1-xNax(NH2BH3) for various Li/Na ratios. The thermodynamic, electronic and phononic properties were investigated to understand the possible dehydrogenation mechanisms of Na[Li(NH2BH3)(2)].

Place, publisher, year, edition, pages
2012. Vol. 41, no 16, p. 4754-4764
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-173536DOI: 10.1039/c2dt11819jISI: 000302023800008OAI: oai:DiVA.org:uu-173536DiVA, id: diva2:524025
Available from: 2012-04-27 Created: 2012-04-26 Last updated: 2022-01-28Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full text

Authority records

Scheicher, Ralph H.Araújo, C. MoysésAhuja, Rajeev

Search in DiVA

By author/editor
Scheicher, Ralph H.Araújo, C. MoysésBlomqvist, AndreasAhuja, Rajeev
By organisation
Materials Theory
In the same journal
Dalton Transactions
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 456 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf