Catalytic behavior of a cation in a solid solution-An electrostatic potential approach

Harold H. Kung

doi:10.1016/0021-9517(82)90111-7

Catalytic behavior of a cation in a solid solution-An electrostatic potential approach

Harold H. Kung

Northwestern University

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

23 Citations (Scopus)

Abstract

A method to calculate the electrostatic potential at a surface cation site and at an adsorbate site is described. The method is applied to evaluate the difference in the electrostatic potential at the two sites when the cation is placed in different oxide solid solutions of the same crystal structure. It is concluded that the ability of the cation to accept an electron from the adsorbate increases if the cation is in a more ionic oxide matrix, and vice versa. This conclusion appears to be consistent with published experimental data involving adsorption and catalysis on a number of solid solutions.

Original language	English
Pages (from-to)	387-395
Number of pages	9
Journal	Journal of Catalysis
Volume	73
Issue number	2
DOIs	https://doi.org/10.1016/0021-9517(82)90111-7
Publication status	Published - Feb 1982

ASJC Scopus subject areas

Catalysis
Physical and Theoretical Chemistry

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abstract = "A method to calculate the electrostatic potential at a surface cation site and at an adsorbate site is described. The method is applied to evaluate the difference in the electrostatic potential at the two sites when the cation is placed in different oxide solid solutions of the same crystal structure. It is concluded that the ability of the cation to accept an electron from the adsorbate increases if the cation is in a more ionic oxide matrix, and vice versa. This conclusion appears to be consistent with published experimental data involving adsorption and catalysis on a number of solid solutions.",

author = "Kung, {Harold H.}",

note = "Funding Information: ACKNOWLEDGMENT This work was supportedi n part by the Department of Energy, Division of Basic Energy Sciences, and by the Department of Energy, Pittsburgh Energy Research Center.",

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AU - Kung, Harold H.

N1 - Funding Information: ACKNOWLEDGMENT This work was supportedi n part by the Department of Energy, Division of Basic Energy Sciences, and by the Department of Energy, Pittsburgh Energy Research Center.

PY - 1982/2

Y1 - 1982/2

N2 - A method to calculate the electrostatic potential at a surface cation site and at an adsorbate site is described. The method is applied to evaluate the difference in the electrostatic potential at the two sites when the cation is placed in different oxide solid solutions of the same crystal structure. It is concluded that the ability of the cation to accept an electron from the adsorbate increases if the cation is in a more ionic oxide matrix, and vice versa. This conclusion appears to be consistent with published experimental data involving adsorption and catalysis on a number of solid solutions.

AB - A method to calculate the electrostatic potential at a surface cation site and at an adsorbate site is described. The method is applied to evaluate the difference in the electrostatic potential at the two sites when the cation is placed in different oxide solid solutions of the same crystal structure. It is concluded that the ability of the cation to accept an electron from the adsorbate increases if the cation is in a more ionic oxide matrix, and vice versa. This conclusion appears to be consistent with published experimental data involving adsorption and catalysis on a number of solid solutions.

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JO - Journal of Catalysis

JF - Journal of Catalysis

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Catalytic behavior of a cation in a solid solution-An electrostatic potential approach

Abstract

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