Université de Fribourg

Benzo[1,2-b:4,5-b′]difuran-based sensitizers for dye-sensitized solar cells

Li, Hui ; Yi, Chenyi ; Moussi, Sofiane ; Liu, Shi-Xia ; Daul, Claude ; Grätzel, Michael ; Decurtins, Silvio

In: RSC Advances, 2013, vol. 3, no. 43, p. 19798–19801

Two BDF-based organic sensitizers, as first examples for their use in dye-sensitized solar cells, are prepared and characterized. They yield promising power conversion efficiencies of up to 5.5% and high open circuit voltages up to 0.82 V. This work demonstrates that the BDF chromophore acts as an effective donor in organic sensitizers.

Université de Fribourg

Preparation and characterization of 3-(4,5-ethylenedithio-1,3-dithiol-2-ylidene)naphthopyranone: a luminescent redox-active donor–acceptor compound

Dolder, Stefan ; Liu, Shi-Xia ; Guégano, Xavier ; Atanasov, Mihail ; Daul, Claude A. ; Leiggener, Claudia ; Hauser, Andreas ; Neels, Antonia ; Decurtins, Silvio

In: Tetrahedron, 2006, vol. 62, no. 48, p. 11106-11111

A new 1,3-dithiol-2-ylidene substituted naphthopyranone 2 has been synthesized and characterized. UV–vis spectroscopic and cyclic voltammetry results, interpreted on the basis of density functional theory, show that 2 displays an intramolecular charge-transfer transition and acts like a donor–acceptor (D–A) system. Furthermore, a weak fluorescence originating from the excited...

Université de Fribourg

DFT study of mixed-valent Mn(II/III) hexacyanide clusters

Daul, Claude ; Rauzy, Cédrick ; Decurtins, Silvio ; Franz, Patrick ; Hauser, Andreas

In: International Journal of Quantum Chemistry, 2005, vol. 101, no. 6, p. 753-760

The cubic Prussian blue analogue Mn³[Mn(CN)₆]₂·15H₂O, which has the advantage of being transparent and magnetic (TN = 35 K) at the same time, has been investigated by density functional theory (DFT) calculations. The three-dimensional structure is built of MnII ions linked to MnIII ions by μ-bridging cyanides, to form a crystal structure,...