The interaction potential and derived scattering and thermodynamic quantities of H2 with the MgO(001) surface

C. Schwartz, M. Karimi, J. Zhang, Gianfranco Vidali

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The interaction potential for H2 interacting with the (001) MgO surface has been constructed using effective medium theory (EMT). We have then calculated the band structure of a H2 molecule moving in the laterally modulated molecule-surface potential, the isosteric, and specific heats. The calculated quantities have also been compared with recent thermodynamic measurements of H2 on MgO powders. In addition, the specular scattering intensity has been calculated as a function of incident polar angle along the high symmetry directions.

Original languageEnglish (US)
Pages (from-to)51-57
Number of pages7
JournalSurface Science
Volume247
Issue number1
DOIs
StatePublished - May 1 1991

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Thermodynamics
Scattering
thermodynamics
Molecules
Surface potential
scattering
Band structure
Powders
Specific heat
molecules
specific heat
interactions
symmetry
Direction compound

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Surfaces and Interfaces

Cite this

The interaction potential and derived scattering and thermodynamic quantities of H2 with the MgO(001) surface. / Schwartz, C.; Karimi, M.; Zhang, J.; Vidali, Gianfranco.

In: Surface Science, Vol. 247, No. 1, 01.05.1991, p. 51-57.

Research output: Contribution to journalArticle

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