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

C. Schwartz; M. Karimi; J. Zhang; G. Vidali

doi:10.1016/0039-6028(91)90194-W

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

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

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

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 language	English (US)
Pages (from-to)	51-57
Number of pages	7
Journal	Surface Science
Volume	247
Issue number	1
DOIs	https://doi.org/10.1016/0039-6028(91)90194-W
State	Published - May 1 1991

All Science Journal Classification (ASJC) codes

Condensed Matter Physics
Surfaces and Interfaces
Surfaces, Coatings and Films
Materials Chemistry

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10.1016/0039-6028(91)90194-W

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

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.",

author = "C. Schwartz and M. Karimi and J. Zhang and G. Vidali",

note = "Funding Information: Portions of this work were supported by NSF Grant 8802512 (G.V.) and by NASA Grant NAG8-127 (M.K.).",

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T1 - The interaction potential and derived scattering and thermodynamic quantities of H2 with the MgO(001) surface

AU - Schwartz, C.

AU - Karimi, M.

AU - Zhang, J.

AU - Vidali, G.

N1 - Funding Information: Portions of this work were supported by NSF Grant 8802512 (G.V.) and by NASA Grant NAG8-127 (M.K.).

PY - 1991/5/1

Y1 - 1991/5/1

N2 - 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.

AB - 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.

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UR - https://www.scopus.com/pages/publications/0026155272#tab=citedBy

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DO - 10.1016/0039-6028(91)90194-W

M3 - Article

AN - SCOPUS:0026155272

SN - 0039-6028

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SP - 51

EP - 57

JO - Surface Science

JF - Surface Science

IS - 1

ER -

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

Abstract

All Science Journal Classification (ASJC) codes

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