Jump to main content
Jump to site search

Issue 30, 2013
Previous Article Next Article

Protons crossing triple phase boundaries based on a metal catalyst, Pd or Ni, and barium zirconate

Author affiliations

Abstract

Density functional theory calculations are used to investigate the energetics of protons crossing triple phase boundaries based on a metal catalyst, Pd or Ni, and barium zirconate. Our calculations show that the proton transfer reaction at these interfaces is controlled by the terminal layer of the electrolyte in contact with the metallic and gas phases. The hydrogen spilling process onto the electrolyte surface is energetically favored at peripheral sites of the metal–electrolyte interface, and proton incorporation into the sub-surface region of the electrolyte involves energies of the order of 1 eV. At the triple phase boundary, the energy cost associated with the proton transfer reaction is controlled by both the nature of chemical contact and the Schottky barrier at the metal–electrolyte interface.

Graphical abstract: Protons crossing triple phase boundaries based on a metal catalyst, Pd or Ni, and barium zirconate

Back to tab navigation

Supplementary files

Article information


Submitted
02 May 2013
Accepted
06 Jun 2013
First published
07 Jun 2013

Phys. Chem. Chem. Phys., 2013,15, 12525-12529
Article type
Communication

Protons crossing triple phase boundaries based on a metal catalyst, Pd or Ni, and barium zirconate

M. Malagoli, M. L. Liu, H. C. Park and A. Bongiorno, Phys. Chem. Chem. Phys., 2013, 15, 12525
DOI: 10.1039/C3CP51863A

Social activity

Search articles by author

Spotlight

Advertisements