Gloria Cárdenas-Jirón, Laboratory of Theoretical Chemistry, Faculty of Chemistry and Biology, UNIVERSITY OF SANTIAGO DE CHILE (USACH), CHILE va donner une conférence à l’Université d’Angers
« NEW INSIGHTS INTO PORPHYRIN AND EXPANDED PORPHYRINS AS LIGHT HARVESTERS FOR DYE-SENSITIZED SOLAR CELLS (DSSC)« .
Date et lieu: mercredi 22 mars à 11h00 dans l’amphi L004
« Expanded porphyrins are macrocycles containing more than four pyrrole rings with an enhancement of the p-electron conjugation. Because of the larger number of pyrrole rings compared with porphyrins, they have attracted great interest in dye-sensitized solar cells (DSSC).
Photophysical, photovoltaics, and charge transport properties of porphyrin and expanded porphyrins are inspected using density functional theory (DFT), time-dependent DFT, and a combination of the Keldysh nonequilibrium Green′s function formalism with the DFT (DFT-NEGF). Several strategies in the molecular structure are assessed, and their effects on these properties are investigated.
Acknowledgments. We thank the financial support of ANID/CHILE under Project FONDECYT 1221072 (G.C.-J.) and Project ECOS-Chile (G.C.-J.) and ECOSUD-France (Fabrice Odobel) C19E03. Powered@NLHPC: This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02) of the University of Chile. »