Quantum treatment of H adsorbed on a P(111) surface
Artikel i vetenskaplig tidskrift, 2001

A static potential energy surface for 1/4 of a monolayer of adsorbed hydrogen atoms on a Pt(111) surface has been calculated using first-principles density-functional theory calculations. The Schrodinger equation is solved for the hydrogen atoms in this potential. The results agree well with stable site, vibrational spectroscopy, and diffusion measurements, and resolve the conflicting interpretations of those experiments.

Författare

Gustav Karlberg

Chalmers, Teknisk fysik, Material- och ytteori

Göran Wahnström

Chalmers, Teknisk fysik, Material- och ytteori

Physical Review B - Condensed Matter and Materials Physics

1098-0121 (ISSN)

Vol. 65 3 033406 -

Ämneskategorier

Den kondenserade materiens fysik

DOI

10.1103/PhysRevB.65.033406