Published July 15, 2008
| Version v1
Journal article
A DFT study of H adsorption on Pt(111) and Pt-Ru(111) surfaces
- 1. Departamento de Fisica, Universidad Nacional del Sur, Avda. Alem 1253, 8000 Bahia Blanca (Argentina)
Description
In this work a comparative analysis between different Pt-Ru(111) surface models and pure Pt(111) surface is presented. Some aspects of the electronic structure of the surfaces and hydrogen adsorption are analysed based on density functional theory calculations. The hydrogen adsorption energy is significantly reduced when Ru is present on the surface. The substitution of Pt atoms by Ru atoms reinforce the Pt-H bond while the metal-metal bond is strongly modified, making the system less stable
Availability note (English)
Available from http://dx.doi.org/10.1016/j.apsusc.2008.03.167Additional details
Identifiers
- DOI
- 10.1016/j.apsusc.2008.03.167;
- PII
- S0169-4332(08)00616-8;
Publishing Information
- Journal Title
- Applied Surface Science
- Journal Volume
- 254
- Journal Issue
- 18
- Journal Page Range
- p. 5827-5830
- ISSN
- 0169-4332
- CODEN
- ASUSEE
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 40032078
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- ADSORPTION; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; HYDROGEN; RUTHENIUM; SURFACES
- Descriptors DEC
- CALCULATION METHODS; ELEMENTS; METALS; NONMETALS; PLATINUM METALS; REFRACTORY METALS; SORPTION; TRANSITION ELEMENTS; VARIATIONAL METHODS
Optional Information
- Copyright
- Copyright (c) 2008 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.