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Surface concentration dependent structures of iodine on Pd(110)
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10.1063/1.4768165
/content/aip/journal/jcp/137/20/10.1063/1.4768165
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/20/10.1063/1.4768165

Figures

Image of FIG. 1.
FIG. 1.

LEED patterns from the (1 × 1) (upper left) at 95 eV and c(2 × 2) (upper right) at 78 eV. Lower row are photographs from the quasi-hexagonal structure at 72 eV and 66 eV, respectively, and finally a (3 × 2) pattern in the low right hand picture. The (0,0) spot is the spot just low-left of the electron gun.

Image of FIG. 2.
FIG. 2.

Optimized structure models at different iodine coverage; green balls represent Pd and red balls represent iodine. The left hand figure is the c(2 × 2) structure at 0.5 ML coverage and the right hand figure is a 3 × 2 structure at 0.67 ML iodine coverage. Iodine atoms are shown as red spheres, and palladium atoms at the top and second layers are shown as cyan and blue spheres, respectively.

Image of FIG. 3.
FIG. 3.

Atomically resolved STM images from the Pd(110)-I c(2 × 2) phase together with atomic structure models. Atomic distances are 5.5 Å in ⟨−110⟩ and 4.8 Å in ⟨−111⟩.The long red arrow points along ⟨−110⟩.

Image of FIG. 4.
FIG. 4.

STM image of mixed the c(2 × 2) and q-hex phases.

Image of FIG. 5.
FIG. 5.

STM image from the q-hex phase, recorded at 4 mV negative tip bias.

Image of FIG. 6.
FIG. 6.

Pd3d5/2 core level spectra recorded at 405 eV and 453 eV photon energies from the (1 × 1) and c(2 × 2)-I structures. Numerical fitting of the spectra were done using two different methods; (a) with Doniach-Sunjic lines and in (b) with a built-in loss feature.

Image of FIG. 7.
FIG. 7.

(a) Pd3d5/2 and (b) I4d core level spectra recorded from the (1 × 1), c(2 × 2)-I, and quasi hexagonal (q-hex) structures.

Tables

Generic image for table
Table I.

Calculated adsorption energies and atomic populations (Bader analysis) for iodine in hollow and bridge positions on the c(2 × 2) and (3 × 2) structures.

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/content/aip/journal/jcp/137/20/10.1063/1.4768165
2012-11-29
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Surface concentration dependent structures of iodine on Pd(110)
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/20/10.1063/1.4768165
10.1063/1.4768165
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