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R. G. Williams Fig. 2 Simplified diagram showing the mode of action of a dye-sensitised solar cell (DSSC). Key processes are (1) excitation of the sensitiser by light absorption, (2) injection of an electron into the semiconductor and hence circuit, (3) reduction of the oxidised sensitiser by the reduced form of the redox mediator and (4) reduction of the oxidised form of the mediator by incoming electrons from the counter electrode into the semiconductor which subsequently flows around the circuit.

Nature 492:234–238 57. Nakanotani H, Masui K, Nishide J, Shibata T, Adachi C (2014) Promising operational stability of high-efficiency organic light-emitting diodes based on thermally activated delayed fluorescence. Sci Rep 3:2127 58. Masui K, Nakanotani H, Adachi C (2013) Analysis of exciton annihilation in high-efficiency sky-blue organic light-emitting diodes with thermally activated delayed fluorescence. Org Electron 14:2721–2726 59. Brabec CJ, Sacrificiti NS, Hummelen JC (2001) Plastic solar cells.

The electron density ρ(r, t) becomes time dependent. Accuracy has now reached the stage where DFT calculations may be used almost routinely in combination with experimental studies of transition-metal complexes. For example, in the field of organic light-emitting diodes (OLEDs), the widely used emissive material aluminium tris(8-hydroxyquinoline) (Alq3), used in the landmark report of Tang and VanSlyke [10], was studied by a number of groups around the turn of the century, with reasonable correlation with experiment [11–13].

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