Surface concentration dependent structures of iodine on Pd(110)

We use photoelectron spectroscopy, low energy electron diffraction, scanning tunneling microscopy, and density functional theory to investigate coverage dependent iodine structures on Pd(110). At 0.5 ML (monolayer), a c(2 × 2) structure is formed with iodine occupying the four-fold hollow site. At i...

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Bibliographic Details
Published in:The Journal of chemical physics 2012-11, Vol.137 (20), p.204703-204703
Main Authors: Göthelid, Mats, Tymczenko, Michael, Chow, Winnie, Ahmadi, Sareh, Yu, Shun, Bruhn, Benjamin, Stoltz, Dunja, von Schenck, Henrik, Weissenrieder, Jonas, Sun, Chenghua
Format: Article
Language:English
Subjects:
Adsorption
Atomic structure
Bonding
Bridges (structures)
Charging
Chemisorption
Core-Level Shifts
Density functional theory
Electron density
Electronic structure
Faces
Iodine
Metals
Overlayer Structure
Photoemission
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Summary:We use photoelectron spectroscopy, low energy electron diffraction, scanning tunneling microscopy, and density functional theory to investigate coverage dependent iodine structures on Pd(110). At 0.5 ML (monolayer), a c(2 × 2) structure is formed with iodine occupying the four-fold hollow site. At increasing coverage, the iodine layer compresses into a quasi-hexagonal structure at 2∕3 ML, with iodine occupying both hollow and long bridge positions. There is a substantial difference in electronic structure between these two iodine sites, with a higher electron density on the bridge bonded iodine. In addition, numerous positively charged iodine near vacancies are found along the domain walls. These different electronic structures will have an impact on the chemical properties of these iodine atoms within the layer.
ISSN:0021-9606
1089-7690
1089-7690
DOI:10.1063/1.4768165