6533b851fe1ef96bd12a8f74
RESEARCH PRODUCT
Molybdenum thin film growth on a TiO2 (1 1 0) substrate.
Sylvie BourgeoisBruno DomenichiniM. PetukhovPeter Krügersubject
MolybdenumChemistryThin filmschemistry.chemical_element02 engineering and technologySubstrate (electronics)021001 nanoscience & nanotechnologyCondensed Matter PhysicsEpitaxy01 natural sciencesBiochemistryCrystallographyAdsorptionZigzagRutileMolybdenum0103 physical sciencesMonolayerOxide surfacePhysical and Theoretical ChemistryThin film010306 general physics0210 nano-technologydescription
International audience; We report a first principles study on the structure and energetics of thin films of molybdenum on a (1 1 0) surface of rutile TiO2. Mo films with 1 × 1 epitaxy in the coverage range between 0.5 and 2 monolayer are investigated. The most stable structures are those which maximize the number of Mo–Mo bonds. This leads to two-dimensional structures with zigzag Mo–Mo coordination for 1 monolayer coverage and three-dimensional structures with approximately body-centered cubic coordination for higher coverage. For a coverage up to 1.5 monolayers, the interface Mo atoms preferentially occupy the so-called upper hollow adsorption site with three Mo–O bonds
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2009-06-01 |