Oxygen reduction on a platinum cluster Academic Article

abstract

• The reaction Pt5O2(ads) + H+(aq) + e- Pt5-OOH is analyzed on the basis of density functional theory calculations. It is found that the electron transfer process takes place gradually as the hydronium ion gets close to the adsorbed oxygen. At a certain small Oads-H Owater distance, the barrier for proton and electron transfer becomes negligible. The effect of an electric field on the reaction is studied by charging the metal/adsorbate complex, and that of a solvation shell on the proton transfer process is explored by using the H3O+ (H2O)2 ion cluster to model the hydrated proton. 2002 Elsevier Science B.V. All rights reserved.

authors

• Balbuena, Perla

published proceedings

• Chemical Physics Letters

author list (cited authors)

• Li, T., & Balbuena, P. B.

complete list of authors

• Li, Tao||Balbuena, Perla B

publication date

• January 1, 2003 11:11 AM

publisher

• Elsevier  Publisher
• Elsevier BV  Publisher

published in

• CHEMICAL PHYSICS LETTERS  Journal

Digital Object Identifier (DOI)

• 10.1016/s0009-2614(02)01755-4

start page

• 439

end page

• 447

issue

• 3-4