Jump to main content
Jump to site search

Issue 4, 2016
Previous Article Next Article

Correlation between diffusion barriers and alloying energy in binary alloys

Author affiliations

Abstract

In this paper, we explore the notion that a negative alloying energy may act as a descriptor for long term stability of Pt-alloys as cathode catalysts in low temperature fuel cells. Using density functional theory calculations, we show that there is a correlation between the alloying energy of an alloy, and the diffusion barriers of the minority component. Alloys with a negative alloying energy may show improved long term stability, despite the fact that there is typically a greater thermodynamic driving force towards dissolution of the solute metal over alloying. In addition to Pt, we find that this trend also appears to hold for alloys based on Al and Pd.

Graphical abstract: Correlation between diffusion barriers and alloying energy in binary alloys

Back to tab navigation

Publication details

The article was received on 07 Aug 2015, accepted on 21 Dec 2015 and first published on 21 Dec 2015


Article type: Paper
DOI: 10.1039/C5CP04694G
Author version
available:
Download author version (PDF)
Citation: Phys. Chem. Chem. Phys., 2016,18, 3302-3307
  •   Request permissions

    Correlation between diffusion barriers and alloying energy in binary alloys

    U. G. Vej-Hansen, J. Rossmeisl, I. E. L. Stephens and J. Schiøtz, Phys. Chem. Chem. Phys., 2016, 18, 3302
    DOI: 10.1039/C5CP04694G

Search articles by author

Spotlight

Advertisements