umu.sePublications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • 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
Improved oxygen reduction performance of Pt–Ni nanoparticles by adhesion on nitrogen-doped graphene
Umeå University, Faculty of Science and Technology, Department of Chemistry. Umeå University, Faculty of Science and Technology, Department of Physics.
Umeå University, Faculty of Science and Technology, Department of Physics.
Umeå University, Faculty of Science and Technology, Department of Physics.
2014 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 118, no 5, 2804-2811 p.Article in journal (Refereed) Published
Abstract [en]

Graphene and its derivatives hold great potential as support for nanocatalyst in various energy applications, such as fuel cells, batteries, and capacitors. In this work, we used density functional theory to analyze substrate effect on the electrocatalytic activity of Pt–Ni bimetallic nanoparticles for oxygen reduction reaction (ORR). The dissociative mechanism is used to evaluate the ORR performance (energy barrier for O2 dissociation, free energy of intermediates, d-band center, overpotential, and electrochemical activity) for a Pt–Ni core–shell-like nanoparticle (PtNiCS) deposited on nondefective graphene (GS) or nitrogen-doped graphene (N-GS). The electronic and catalytic properties of PtNiCS on N-GS designate N-doped graphene as the best substrate to use for ORR, showing better interaction with the bimetallic cluster, improved charge transfer between constitutes, and a superior ORR performance when compared to PtNiCS on GS. The N-GS has a significant effect in reducing the energy barrier for O2 dissociation and decrease the energetic stability of HO* intermediates, resulting in enhanced ORR activity compared with the PtNiCS on GS. In addition, the strong interaction between PtNiCS cluster and N-GS substrate may lead to an improved long-term stability of the catalytic particle during ORR cycles.

Place, publisher, year, edition, pages
2014. Vol. 118, no 5, 2804-2811 p.
National Category
Nano Technology
Research subject
Materials Science
Identifiers
URN: urn:nbn:se:umu:diva-85455DOI: 10.1021/jp4101619ISI: 000331153700064OAI: oai:DiVA.org:umu-85455DiVA: diva2:693583
Available from: 2014-02-04 Created: 2014-02-04 Last updated: 2017-12-06Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Gracia-Espino, EduardoJia, XueenWågberg, Thomas
By organisation
Department of ChemistryDepartment of Physics
In the same journal
The Journal of Physical Chemistry C
Nano Technology

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 214 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • 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