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.
Inducing extended line defects in graphene by linear adsorption of C and N atoms
Rent:
Rent this article for
USD
10.1063/1.4772212
/content/aip/journal/apl/101/25/10.1063/1.4772212
http://aip.metastore.ingenta.com/content/aip/journal/apl/101/25/10.1063/1.4772212

Figures

Image of FIG. 1.
FIG. 1.

Top and side views of initial and optimized structures of interest (rectangles show unit cells used in the calculations): (a) model of C linear adsorption on graphene (similar initial models apply for all other elements: N, B and O) and (b) optimized 585 ELD, (c) optimized N-585 ELD, (d) optimized B linear adsorption on graphene within a unit cell, and (e) optimized O linear adsorption on graphene within a unit cell.

Image of FIG. 2.
FIG. 2.

Designed models and optimized structures for C and N linear adsorption on graphene at various densities. (a) and (c) Top views of the initial model within one unit cell (the adatoms are outlined by red dashed rectangles): the adsorption density is (a) 50%, resp. (c) 75%. The optimized C-ELD structures are shown in supercells doubled in size along the ELD direction: (b) 50% and (d) 75% (the pentagonal rings are colored red, the heptagonal rings blue, and the hexagonal rings in the ELD direction grey). The optimized structures of the N system are shown in: (e) 50% within a unit cell and (f) 75% within doubled supercells in the ELD direction. The two insets in (e) show two lateral views of a B-B pair.

Image of FIG. 3.
FIG. 3.

Three dimer adsorption patterns on graphene: (a) the next-neighbor N dimer or arm dimer and (b) its optimized configuration, (c) the near-neighbor N dimer and (d) its optimized configuration, and (e) the parallel N dimers. (f) Stable configuration for C dimers on graphene with arm, near-neighbor, and parallel dimers patterns.

Tables

Generic image for table
Table I.

The relative total energies of some typical N dimer adsorptions on graphene.

Loading

Article metrics loading...

/content/aip/journal/apl/101/25/10.1063/1.4772212
2012-12-17
2014-04-19
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Inducing extended line defects in graphene by linear adsorption of C and N atoms
http://aip.metastore.ingenta.com/content/aip/journal/apl/101/25/10.1063/1.4772212
10.1063/1.4772212
SEARCH_EXPAND_ITEM