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Bibliographic record number: 83211

Journal

Authors: Lazić, Predrag; Brako, Radovan
Title: Oxygen chemisorption on Pt(111) surface
( Oxygen chemisorption on Pt(111) surface )
Source: Fundamental aspects of Surface Science: Structure and reactivity of oxide surfaces - Programme & Book of abstractsAcquafredda di Maratea :
Meeting: European Research Conference on "Fundamental aspects of Surface Science: Structure and reactivity of oxide surfaces"
Location and date: Acquafredda di Maratea (Napulj), Italija, 01.-06.06.06.2002.
Keywords: density functional theory; chemisorption; metal surfaces; oxygen; platinum
( density functional theory; chemisorption; chemisorption; metal surfaces; oxygen; platinum )
Abstract:
We have performed density functional calculations of O chemisorbed on a Pt(111) surface, for various chemisorption sites and geometries.We determined the forces acting on the surrounding substrate atoms before these are allowed to relax. The forces in the surface plane are quite large when allowed by symmetry. We have subsequently allowed the substrate to fully relax, and found the energy of adsorption into various sites, and the related relaxation of the substrate.These results can be used to determine the relative stability ofvarious sites, diffusion paths, and other related quantities.
Type of meeting: Poster
Type of presentation in a journal: Abstract
Type of peer-review: International peer-review
Project / theme: 0098001
Original language: eng
Category: Znanstveni
Research fields:
Physics



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