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.
Adsorption mechanism of water molecules surrounding Au nanoparticles of different sizes
Rent:
Rent this article for
USD
10.1063/1.2897931
/content/aip/journal/jcp/128/15/10.1063/1.2897931
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/15/10.1063/1.2897931

Figures

Image of FIG. 1.
FIG. 1.

Schematic diagram of the cross section of the simulation model, in which periodic boundary conditions are applied in every dimension.

Image of FIG. 2.
FIG. 2.

Reduced density with distance from the surface of the Au nanoparticle of different sizes: (a) hydrogen density profile, and (b) oxygen density profile. The insets show the profile from our previous study of nanoparticles of (gray line), (solid line), and (dashed line) nm, and compare with the present results.

Image of FIG. 3.
FIG. 3.

Morphologies of water molecules surrounding Au nanoparticle for (a) , (b) , and (c) . The orange, red, and white spheres represent the Au, O, and H atoms, respectively, and the dashed line between oxygen and hydrogen atoms indicates the hydrogen bonding.

Image of FIG. 4.
FIG. 4.

The morphology of the Au nanoparticle.

Image of FIG. 5.
FIG. 5.

The orientational order parameter of the water molecules in the first water shell at different sizes of Au nanoparticle.

Image of FIG. 6.
FIG. 6.

The maximum values of the first water shell, second water shell, and bulk region peaks of oxygen density profile from Fig. 2, compared with our previous result (Ref. 30).

Tables

Generic image for table
Table I.

Parameters used in the tight-binding potential for Au.

Generic image for table
Table II.

Parameters used in the F3C water model.

Generic image for table
Table III.

Parameters used in the modified Spohr potential.

Generic image for table
Table IV.

Distances between the three-fold hollow sites.

Generic image for table
Table V.

Variation in adsorption constant and average interaction energy at differing Au nanoparticle diameters.

Loading

Article metrics loading...

/content/aip/journal/jcp/128/15/10.1063/1.2897931
2008-04-16
2014-04-17
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Adsorption mechanism of water molecules surrounding Au nanoparticles of different sizes
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/15/10.1063/1.2897931
10.1063/1.2897931
SEARCH_EXPAND_ITEM