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.
Methodological assessment of kinetic Monte Carlo simulations of organic photovoltaic devices: The treatment of electrostatic interactions
Rent:
Rent this article for
USD
10.1063/1.3337909
/content/aip/journal/jcp/132/9/10.1063/1.3337909
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/9/10.1063/1.3337909

Figures

Image of FIG. 1.
FIG. 1.

Two point charges and next to a metallic surface, together with their “image charges” and .

Image of FIG. 2.
FIG. 2.

Periodic pattern of alternating charges in a device with infinite slab geometry.

Image of FIG. 3.
FIG. 3.

Investigated morphologies (photoactive layers, not in scale): (a) bilayer, (b) chessboard, and (c) mixed.

Image of FIG. 4.
FIG. 4.

Current densities (bottom panel) and their absolute difference (top panel) plotted against the pillar length, under short-circuit conditions. Error bars are smaller than symbol size.

Image of FIG. 5.
FIG. 5.

Electrons/holes densities at short-circuit plotted against the pillar length. Error bars are smaller than symbol size.

Image of FIG. 6.
FIG. 6.

Plots of the electron/hole densities, for the bilayer device at short-circuit. The gray-shaded bar in the middle separates the acceptor (left) and the donor (right) domains.

Image of FIG. 7.
FIG. 7.

Current densities (bottom panel) and their absolute difference (top panel) plotted against the pillar length, under flat-band conditions. Error bars are smaller than symbol size.

Image of FIG. 8.
FIG. 8.

Plots of the electron/hole densities, for the bilayer device at flat-band. The gray-shaded bar in the middle separates the acceptor (left) and the donor (right) domains.

Image of FIG. 9.
FIG. 9.

Plots of the transient current density at short-circuit (top panel) and flat-band (bottom panel), for the bilayer device simulated with the Ewald potential.

Tables

Generic image for table
Table I.

Rate constants values.

Generic image for table
Table II.

Electrostatic parameters (default values).

Generic image for table
Table III.

Results for the cutoff-based potential, with . Pillar length for bilayer and chessboard morphologies is given in parentheses. IQEs are expressed as percentages.

Generic image for table
Table IV.

Results for the Ewald potential. Pillar length for bilayer and chessboard morphologies is given in parentheses. IQEs are expressed as percentages.

Generic image for table
Table V.

Device simulation results at short-circuit and flat-band, with . IQEs are expressed as percentages.

Generic image for table
Table VI.

Results for the bilayer device with increased thickness (100 nm). IQEs are expressed as percentages.

Loading

Article metrics loading...

/content/aip/journal/jcp/132/9/10.1063/1.3337909
2010-03-05
2014-04-25
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Methodological assessment of kinetic Monte Carlo simulations of organic photovoltaic devices: The treatment of electrostatic interactions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/9/10.1063/1.3337909
10.1063/1.3337909
SEARCH_EXPAND_ITEM