Density functional theory study of adsorption of OOH on Pt-based bimetallic clusters alloyed with Cr, Co, and Ni Academic Article

abstract

• The adsorption of OOH, the main product of the first step in the O 2 reduction on Pt(1 1 1) surfaces, is studied on Pt-based bimetallic three-atom clusters. Cr, Co, and Ni are better adsorption sites for OOH than Pt, but the strong adsorption might not favor the dissociation of OOH. However, the presence of Cr, Co, or Ni in the vicinity of a Pt atom increases its electron density, enhancing the Pt ability to transfer electrons to oxygenated species. Thus, Cr, Co, or Ni in the subsurface, rather than on the exposed surface, may contribute favorably to catalyze the O2 reduction. 2005 Elsevier B.V. All rights reserved.

authors

• Balbuena, Perla
• Seminario, Jorge

published proceedings

• CHEMICAL PHYSICS LETTERS

author list (cited authors)

• Seminario, J. M., Agapito, L. A., Yan, L., & Balbuena, P. B.

complete list of authors

• Seminario, JM||Agapito, LA||Yan, L||Balbuena, PB

publication date

• January 1, 2005 11:11 AM

publisher

• Elsevier  Publisher
• Elsevier BV  Publisher

published in

• CHEMICAL PHYSICS LETTERS  Journal

Digital Object Identifier (DOI)

• 10.1016/j.cplett.2005.05.077

start page

• 275

end page

• 281

issue

• 4-6