banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Impact of oxygen on the work functions of Mo in vacuum and on
Rent this article for


Image of FIG. 1.
FIG. 1.

Density of states of bulk zirconia calculated with the LCAO-PP approach.

Image of FIG. 2.
FIG. 2.

Structure of pure and oxidized Mo(110) surfaces: (a) clean Mo (110) surface, (b) 0.5-ML adsorbed O atoms, (c) 1-ML adsorbed O atoms, and (d) 2-ML adsorbed O atoms (with subsurface oxidation). Black: O; gray: Mo.

Image of FIG. 3.
FIG. 3.

Structure of the interfaces: (a) stoichiometric, (b) 0.5-ML O-rich interface, (c) 1.5-ML O-rich interface with subsurface Mo oxidation, and (d) O-poor interface. Light gray:Zr; black: O; gray: Mo.

Image of FIG. 4.
FIG. 4.

Density of states projected on the bulk part of the slab for the stoichiometric (solid) and with extra 0.5-ML interfacial O (line with circles) interfaces.

Image of FIG. 5.
FIG. 5.

Dependence of density of states on the surface stoichiometry. Solid line: stoichiometric slab; line with circles: 0.5-ML O coverage.


Generic image for table
Table I.

Experimental and calculated work function (WF, in eV) and surface energy (SE, in ) for different Mo surfaces.

Generic image for table
Table II.

Mo(110) work-function dependency on the O surface coverage (columns 2 and 3) and surface coverage plus subsurface oxidation (column 4).

Generic image for table
Table III.

valence-band offset for different interface stoichiometries.

Generic image for table
Table IV.

Charge distribution in interfaces.


Article metrics loading...


Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Impact of oxygen on the work functions of Mo in vacuum and on ZrO2