Oxygen chemisorption on Pt(111) surface (CROSBI ID 483786)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Lazić, Predrag ; Brako, Radovan
engleski
Oxygen chemisorption on Pt(111) surface
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.
density functional theory; chemisorption; chemisorption; metal surfaces; oxygen; platinum
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Podaci o prilogu
69-x.
2002.
objavljeno
Podaci o matičnoj publikaciji
Acquafredda di Maratea:
Podaci o skupu
European Research Conference on "Fundamental aspects of Surface Science: Structure and reactivity of oxide surfaces"
poster
01.06.2002-06.06.2002
Acquafredda, Italija