Computer simulation of interactions of model Pt particles and films with the silica surface

S. M. Levine; S. H. Garofalini

doi:10.1063/1.454244

Computer simulation of interactions of model Pt particles and films with the silica surface

S. M. Levine, S. H. Garofalini

Rutgers University

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

20 Citations (Scopus)

Abstract

The molecular dynamics method was used to simulate adsorption and particle growth behavior of model Pt metal on the vitreous silica surface. Analysis of depositions from single atoms through the development of a continuous film of metal were simulated, and were then compared to similar systems analyzed in the laboratory. Consistent with experimental findings, the single atom depositions showed both adsorption onto the surface of the substrate as well as penetration into the interior (subsurface) sections. Multiple Pt atom interactions resulted in more complex absorption behavior. This finding yielded better quantitative agreement with the "real" systems analyzed previously. Applications of this type of study are discussed.

Original language	English
Pages (from-to)	1242-1247
Number of pages	6
Journal	The Journal of Chemical Physics
Volume	88
Issue number	2
DOIs	https://doi.org/10.1063/1.454244
Publication status	Published - 1988

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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AB - The molecular dynamics method was used to simulate adsorption and particle growth behavior of model Pt metal on the vitreous silica surface. Analysis of depositions from single atoms through the development of a continuous film of metal were simulated, and were then compared to similar systems analyzed in the laboratory. Consistent with experimental findings, the single atom depositions showed both adsorption onto the surface of the substrate as well as penetration into the interior (subsurface) sections. Multiple Pt atom interactions resulted in more complex absorption behavior. This finding yielded better quantitative agreement with the "real" systems analyzed previously. Applications of this type of study are discussed.

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Computer simulation of interactions of model Pt particles and films with the silica surface

Abstract

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