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Effects of lattice expansion on the reactivity of a one-dimensional oxide
- Source :
- Journal of the American Chemical Society, 131 (2009): 3253–3259. doi:10.1021/ja808100f, info:cnr-pdr/source/autori:Africh, Cristina (1,2); Köhler, Lukas (3); Esch, Friedrich (2); Corso, Martina (1,2,4); Dri, Carlo (1,2); Bucko, Tomas (3); Kresse, Georg (3); Comelli, Giovanni (1,2)/titolo:Effects of lattice expansion on the reactivity of a one-dimensional oxide/doi:10.1021%2Fja808100f/rivista:Journal of the American Chemical Society (Print)/anno:2009/pagina_da:3253/pagina_a:3259/intervallo_pagine:3253–3259/volume:131
- Publication Year :
- 2009
-
Abstract
- By means of scanning tunneling microscopy (STM) and density functional theory (DFT) calculations, we characterize at the single-atom level the mechanism of the water formation reaction on the (10 × 2)-O/Rh(110) surface, a prototype of a one-dimensional (1D) oxide where the lattice expansion and the segmentation of the surface play a fundamental role. When the reaction is imaged in the 238-263 K temperature range (35 s/image acquisition time), a peculiar comblike propagation mechanism for the reaction front is found. Fast STM measurements (33 ms/image) prove that this mechanism holds also at room temperature, being therefore an intrinsic characteristic of the reaction on the 1D oxide. DFT calculations explain the observed behavior as due to the interplay between the lattice expansion in the initial surface and its relaxation during the reaction that leads to varying configurations for the reactants. At low temperatures, the reaction produces, in its final stages, a low-coverage, ordered patterning of the surface with residual oxygen. The pattern formation is related to the segmentation of the oxide phase.
- Subjects :
- Reaction mechanism
Chemistry
Relaxation (NMR)
Oxide
Pattern formation
General Chemistry
Atmospheric temperature range
Biochemistry
Catalysis
law.invention
chemistry.chemical_compound
Colloid and Surface Chemistry
law
Chemical physics
Computational chemistry
Phase (matter)
SCANNING-TUNNELING-MICROSCOPY
AUGMENTED-WAVE METHOD
TRANSITION-METALS
RH(110) SURFACE
RECONSTRUCTION
OXIDATION
CO
Density functional theory
Scanning tunneling microscope
Subjects
Details
- ISSN :
- 15205126
- Volume :
- 131
- Issue :
- 9
- Database :
- OpenAIRE
- Journal :
- Journal of the American Chemical Society
- Accession number :
- edsair.doi.dedup.....00ce4622332cf03f406f1c196ed35a49