Abstract
A molecular dynamics computer technique was used to simulate the diffusion of a Au and and Ir adatom on the Pt(110) surface. Details of the exchange mechanism associated with cross-channel diffusion were observed. For the Au adatom at the low temperature, the expected channel diffusion occurred, whereas at the higher temperature a temporary exchange of the Pt wall atom by the Au adatom was seen. In the Ir case at the low temperature no exchange was observed, although there was a partial displacement of the wall atom by the adatom. At the higher temperature, the exchange mechanism was observed. The results are consistent with experimental observations and also indicate the importance of the stability of the channel wall atoms (via their thermal motion) on the occurrence of the exchange mechanism.
| Original language | English |
|---|---|
| Pages (from-to) | 199-204 |
| Number of pages | 6 |
| Journal | Surface Science |
| Volume | 104 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - Mar 1 1981 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Condensed Matter Physics
- Surfaces and Interfaces
Cite this
Mechanism for the self-diffusion of Au and Ir adatoms on Pt(110) surface. / Garofalini, Steve; Halicioglu, Timur.
In: Surface Science, Vol. 104, No. 1, 01.03.1981, p. 199-204.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Mechanism for the self-diffusion of Au and Ir adatoms on Pt(110) surface
AU - Garofalini, Steve
AU - Halicioglu, Timur
PY - 1981/3/1
Y1 - 1981/3/1
N2 - A molecular dynamics computer technique was used to simulate the diffusion of a Au and and Ir adatom on the Pt(110) surface. Details of the exchange mechanism associated with cross-channel diffusion were observed. For the Au adatom at the low temperature, the expected channel diffusion occurred, whereas at the higher temperature a temporary exchange of the Pt wall atom by the Au adatom was seen. In the Ir case at the low temperature no exchange was observed, although there was a partial displacement of the wall atom by the adatom. At the higher temperature, the exchange mechanism was observed. The results are consistent with experimental observations and also indicate the importance of the stability of the channel wall atoms (via their thermal motion) on the occurrence of the exchange mechanism.
AB - A molecular dynamics computer technique was used to simulate the diffusion of a Au and and Ir adatom on the Pt(110) surface. Details of the exchange mechanism associated with cross-channel diffusion were observed. For the Au adatom at the low temperature, the expected channel diffusion occurred, whereas at the higher temperature a temporary exchange of the Pt wall atom by the Au adatom was seen. In the Ir case at the low temperature no exchange was observed, although there was a partial displacement of the wall atom by the adatom. At the higher temperature, the exchange mechanism was observed. The results are consistent with experimental observations and also indicate the importance of the stability of the channel wall atoms (via their thermal motion) on the occurrence of the exchange mechanism.
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UR - http://www.scopus.com/inward/citedby.url?scp=5644270490&partnerID=8YFLogxK
U2 - 10.1016/0039-6028(81)90130-8
DO - 10.1016/0039-6028(81)90130-8
M3 - Article
VL - 104
SP - 199
EP - 204
JO - Surface Science
JF - Surface Science
SN - 0039-6028
IS - 1
ER -