1887
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.
Reactive molecular dynamic simulations of early stage of wet oxidation of Si (001) surface
Rent:
Rent this article for
USD
10.1063/1.4818941
/content/aip/journal/jap/114/7/10.1063/1.4818941
http://aip.metastore.ingenta.com/content/aip/journal/jap/114/7/10.1063/1.4818941

Figures

Image of FIG. 1.
FIG. 1.

Time evolution of single water molecule reaction at 300 K when the water molecule, with two hydrogen atoms on the left side and oxygen atom on the right side of the molecule, is placed (a) on the middle of the dimer row, (b) above one of the dimer atom, and (c) on the channel between the dimer row.

Image of FIG. 2.
FIG. 2.

Time evolution of single water molecule reaction at 300 K when the water molecule, with two hydrogen atoms on the top and oxygen atom on the bottom of the molecule, is placed (a) on the middle of the dimer row, (b) above one of the dimer atom, and (c) on the channel between the dimer row.

Image of FIG. 3.
FIG. 3.

Time evolution of single water molecule reaction at 300 K when the water molecule, with two hydrogen atoms on the bottom and oxygen atom on the top of the molecule, is placed (a) on the middle of the dimer row, (b) above one of the dimer atom, and (c) on the channel between the dimer row.

Image of FIG. 4.
FIG. 4.

Time evolution of single water molecule reaction when the water molecule adsorbed on a silicon dimer atom at 300 K, with two hydrogen atoms on the left side and oxygen atom on the right side of the molecule.

Image of FIG. 5.
FIG. 5.

The snapshot of the physically absorbed water molecule on Si surface at 300 K. (a) Initial absorption configuration (b) after 2 ps. Atoms are colored by the Mulliken charge.

Image of FIG. 6.
FIG. 6.

(a) Time evolution of the number of adsorbed oxygen atoms during wet oxidation and dry oxidation (inset, Reprinted with permission from M. A. Pamungkas, M. Joe, B. H. Kim, and K. R. Lee, J. Appl. Phys. , 053513 (2011). Copyright 2011 American Institute of Physics). (b) Time evolution of the number of adsorbed hydrogen atoms during wet oxidation.

Image of FIG. 7.
FIG. 7.

Top view of the oxidized Si (001) surface by 150 water molecules at 300 K ((a) and (b)) and 1200 K ((c) and (d)). The atoms are colored by type ((a) and (c)) and the Mulliken charge ((b) and (d)).

Image of FIG. 8.
FIG. 8.

Top view of the oxidized Si (001) surface by 600 water molecules at 300 K ((a) and (b)) and 1200 K ((c) and (d)). The atoms are colored by type ((a) and (c)) and the Mulliken charge ((b) and (d)).

Image of FIG. 9.
FIG. 9.

Oxygen depth profile of the oxidized silicon surface with 600 water molecules. Each data were taken in the layer of thickness 0.32 nm from the surface.

Image of FIG. 10.
FIG. 10.

Time evolution of (a) water-water molecule reaction, (b) water-hydroxyl reaction, and (c) hydroxyl-hydroxyl reaction.

Tables

Generic image for table
Table I.

Total uptake fraction of oxygen and the depth distribution of the oxygen obtained by statistical analysis of 500 independent events of single HO molecule reaction.

Generic image for table
Table II.

Total uptake fraction and depth distribution of hydrogen obtained by statistical analysis of 500 independent events of single HO molecule reaction.

Loading

Article metrics loading...

/content/aip/journal/jap/114/7/10.1063/1.4818941
2013-08-19
2014-04-20
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Reactive molecular dynamic simulations of early stage of wet oxidation of Si (001) surface
http://aip.metastore.ingenta.com/content/aip/journal/jap/114/7/10.1063/1.4818941
10.1063/1.4818941
SEARCH_EXPAND_ITEM