Quantum treatment of H adsorbed on a P(111) surface
Journal article, 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.

Author

Gustav Karlberg

Chalmers, Applied Physics, Materials and Surface Theory

Göran Wahnström

Chalmers, Applied Physics, Materials and Surface Theory

Physical Review B - Condensed Matter and Materials Physics

1098-0121 (ISSN)

Vol. 65 3 033406 -

Subject Categories

Condensed Matter Physics

DOI

10.1103/PhysRevB.65.033406

More information

Created

10/7/2017