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Optical properties of low band gap alternating copolyfluorenes for photovoltaic devices
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10.1063/1.2087367
/content/aip/journal/jcp/123/20/10.1063/1.2087367
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/20/10.1063/1.2087367

Figures

Image of FIG. 1.
FIG. 1.

Chemical formulas and oligomeric units used for ZINDO calculations of APFO Green 1 and APFO Green 2. (1) is (a part of) APFO-Green 1, and (2) is (a part of) APFO-Green 2. Sidechains are not included in the ZINDO calculations. Numbering of units is used in Fig. 5 (where numbering of units has been continued in an obvious manner) for correlated electron-hole density maps.

Image of FIG. 2.
FIG. 2.

The structure of a sample, with coordinate system, incoming and reflected light, plane of incidence, angle of incidence, and the decomposition of light into and light. The direction is parallel to . The thicknesses (polymer, silicon oxide, and silicon wafer) are not drawn to scale. An ideal model is a model with flat and parallel interfaces.

Image of FIG. 3.
FIG. 3.

APFO Green 1: (a) The overlap between experimental and model data based on multisample analyze and four angles of incidence (58, 67, 76, and 85) in the wavelength interval UV-Vis-NIR. (b) and for APFO Green 1 as from ellipsometric investigation. is parallel to the surface plane (ordinary direction) is normal to the sample plane (extraordinary). (c) The absorption coefficient as a function of wavelength. Bars refer to transitions in Table III, arrows that what axis to read off.

Image of FIG. 4.
FIG. 4.

APFO Green 2: (a) The overlap between experimental and model data based on multisample analyze and four angles of incidence (58, 67, 76, and 85) in the wavelength interval UV-Vis-NIR. (b) and for APFO Green 2 as from ellipsometric investigation. is parallel to the surface plane (ordinary direction) is normal to the sample plane (extraordinary). (c) The absorption coefficient as a function of wavelength. Bars refer to transitions in Table IV, arrows that what axis to read off.

Image of FIG. 5.
FIG. 5.

(Color online) Isodensity plots of TDs and CDDs of the two strongest transitions of APFO Green 2. The green and red colors correspond to negative and positive densities, respectively. In case of TDs the absolute sign does not have any significance since the transition dipole moment can be turned by 180°. However, in CDDs the negative density (green) corresponds to the hole and positive density (red) to the electron density. Yellow is the sulfur atoms.

Image of FIG. 6.
FIG. 6.

(Color online) Correlated electron-hole pair distribution grids for transitions 1 and 5 of APFO Green 2. For numbering see Fig. 1.

Tables

Generic image for table
Table I.

Thickness in nanometers for the samples examined.

Generic image for table
Table II.

Interesting values for the curves. Onset is not well defined and we have done no more elaborate analysis of this. 1 and 2 simply refer to the two absorption bands seen. 1 is the higher and 2 is the lower in wavelength.

Generic image for table
Table III.

Properties of the ten lowest singlet excited states for the oligomer corresponding to APFO Green 1 polymer as obtained from ZINDO calculations. For the assignment 1 253 481 see Fig. 1. The character is only investigated for the S1, S7, and S9.

Generic image for table
Table IV.

Properties of the ten lowest singlet excited states for the oligomer corresponding to APFO Green 2 polymer as obtained from ZINDO calculations. For the assignment 1 23 478 see Fig. 1. The character is only investigated for the S1, S5, and S7.

Generic image for table
Table V.

Lorentz oscillators for APFO Green 2.

Generic image for table
Table VI.

Ordinary Lorentz energies, amplitudes, and broadenings for APFO Green 1.

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/content/aip/journal/jcp/123/20/10.1063/1.2087367
2005-11-28
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Optical properties of low band gap alternating copolyfluorenes for photovoltaic devices
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/20/10.1063/1.2087367
10.1063/1.2087367
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