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 | Journal of Chemical Physics |
| Volume | 88 |
| Issue number | 2 |
| Publication status | Published - 1988 |
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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 journal › Article
}
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 -