Title of article
An STM and DFT study of the ordered structures of NO on Pd(1 1 1)
Author/Authors
H?jrup Hansen، نويسنده , , K and ?ljivan?anin، نويسنده , , ? and Hammer، نويسنده , , Erik Laegsgaard، نويسنده , , E and Besenbacher، نويسنده , , F and Stensgaard، نويسنده , , I، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2002
Pages
9
From page
1
To page
9
Abstract
Adsorption of NO on Pd(1 1 1) has been studied by scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. Three ordered structures, c(4×2), c(8×2) and p(2×2), were observed by STM in the temperature interval 170–300 K. Adsorption sites have been assigned on the basis of the DFT calculations, which also explain the coexistence of the three phases, observed by STM. It is shown that a repulsive adsorbate–adsorbate interaction is mediated by the substrate and the interaction is described quantitatively.
Keywords
Density functional calculations , Chemisorption , PALLADIUM , nitrogen oxides , Single crystal surfaces , Scanning tunneling microscopy
Journal title
Surface Science
Serial Year
2002
Journal title
Surface Science
Record number
1680816
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