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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 70: Hybrid Perovskite and Photovoltaics II (joint session CPP/HL)

CPP 70.5: Vortrag

Mittwoch, 18. März 2020, 16:00–16:15, ZEU 260

The role of anchors for the efficiency of p-type dye-sensitized solar cells — •Miftahussurur Hamidi Putra and Axel Groß — Institut für Theoretische Chemie, Universität Ulm, 89069 Ulm, Germany

In recent years, p-type dye-sensitized solar cells (pDSSC) have attracted a lot of attention as an alternative to conventional solar cells. However, the efficiency of this solar cell is still below 10% which hampers their utilization. One of the promising type of dyes for p-DSSC solar cells are ruthenium-based complexes [Ru(bpy)₃]²⁺ [1]. The efficiency of p-DSSCs is critically influenced by the anchors through which they are bound to a semiconductor substrate such as NiO. First-principles electronic calculations based on time-dependent density functional theory (TDDFT) have been performed in order to evaluate the performance of various candidates for anchoring [Ru(bpy)₃]²⁺ complexes. Results will be presented and discussed with respect to properties that are related to the efficiency of p-DSSC solar cells, such as injection free energy (Δ G_inj), light harvesting efficiency (LHE), hole injecting efficiency (HJE), regeneration free energy (Δ G_reg) and the excited state lifetime (τ) [1,2].

[1] Y. Pellegrin, L. Le Pleux, E. Blart, A. Renaud, B. Chavillon, N. Szuwarski, M. Boujtita, L. Cario, S. Jobic, D. Jacquemin, and F. Odobel, J. Photochem. Photobiol. A: Chem. 219, 235 (2011).

[2] A. Sen and A. Groß, Int. J. Quantum Chem. 119, e25963 (2019).