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Theoretical study of charge recombination at the TiO2-electrolyte interface in dye sensitised solar cells
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10.1063/1.4737101
/content/aip/journal/jcp/137/22/10.1063/1.4737101
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/22/10.1063/1.4737101

Figures

Image of FIG. 1.
FIG. 1.

Adsorption configurations (along the [10-1] direction on the left, on the right along the [010] direction) for the anatase (101)-electrolyte system; iodine atoms are shown in purple, titanium atoms in grey, and oxygen atoms in red.

Image of FIG. 2.
FIG. 2.

Electronic half-lives, Γ, for the electrolytes considered: I3 (blue line), I2 (red line), and I2 (green line).

Image of FIG. 3.
FIG. 3.

Recombination half-lives as a function of the applied bias potential for I2 (red lines) and I3 (blue lines). The experimental range is between the horizontal lines. Panel (a) shows the dependence on the parameter E C (= −4.24 eV, empty symbols, = –4.13 eV, full symbols) with electrolyte concentration [I3 ] = 0.05 mol dm−3 and [I] = 0.75 mol dm−3. Panel (b) reports the dependence on the electrolyte concentration keeping E C = −4.24 eV; + symbols and × symbols indicate CRE to I3 and I2 respectively with concentrations [I3 ] = 0.05 mol dm−3 and [I] = 0.3 mol dm−3. Empty symbols are obtained for [I3 ] = 50 mol dm−3 and [I] = 450 mol dm−3.

Image of FIG. 4.
FIG. 4.

Recombination half-life for I2 as a function of the conduction band edge for selected values of the quasi-Fermi level, horizontal lines indicate experimental values for recombination at high electron concentration and dismutation reactions, values employed for the quasi-Fermi levels E f,n are reported next to each line.

Image of FIG. 5.
FIG. 5.

Recombination half-lives as a function of the conduction band edge. Labels in figure refer to the species present at the interface. E f,n has been set equal to −4.41 eV for all electrolytes.

Tables

Generic image for table
Table I.

Molecular parameters for the electrolytes considered. The internal reorganisation energy for I2 is set equal to its dissociation energy. The total reorganisation energy has been calculated as λ = λ int + 0.5 × λ ext .

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/content/aip/journal/jcp/137/22/10.1063/1.4737101
2012-07-19
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Theoretical study of charge recombination at the TiO2-electrolyte interface in dye sensitised solar cells
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/22/10.1063/1.4737101
10.1063/1.4737101
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