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

S. M. Levine, Steve Garofalini

Research output: Contribution to journalArticle

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 languageEnglish
Pages (from-to)1242-1247
Number of pages6
JournalJournal of Chemical Physics
Volume88
Issue number2
Publication statusPublished - 1988

Fingerprint

Silicon Dioxide
computerized simulation
silicon dioxide
Atoms
Computer simulation
Metals
atoms
Adsorption
adsorption
interactions
Fused silica
metals
Molecular dynamics
penetration
molecular dynamics
Substrates

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Computer simulation of interactions of model Pt particles and films with the silica surface. / Levine, S. M.; Garofalini, Steve.

In: Journal of Chemical Physics, Vol. 88, No. 2, 1988, p. 1242-1247.

Research output: Contribution to journalArticle

@article{f648d887a83842a4b516c8ab36e13d7d,
title = "Computer simulation of interactions of model Pt particles and films with the silica surface",
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.",
author = "Levine, {S. M.} and Steve Garofalini",
year = "1988",
language = "English",
volume = "88",
pages = "1242--1247",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "2",

}

TY - JOUR

T1 - Computer simulation of interactions of model Pt particles and films with the silica surface

AU - Levine, S. M.

AU - Garofalini, Steve

PY - 1988

Y1 - 1988

N2 - 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.

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.

UR - http://www.scopus.com/inward/record.url?scp=0039797390&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0039797390&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0039797390

VL - 88

SP - 1242

EP - 1247

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 2

ER -