Dr. Marie-Laure Bocquet, Ecole Normale Supérieure-PSL Research University, Département de Chimie, Paris, France

Porphyrins and Phthalocyanines on Metal and Metal-Supported Graphene : Chemical Reactivity on Both Sides From First-Principles STM Simulations

In this talk I will first illustrate the on top reactivity of porphyrins (CoTPP) adsorbed on silver surface towards gaseous molecules such as CO and NO, as probed experimentally in the group of Johannes Barth. In the case of CO ligands, STM simulations helped to unveil a dual ligation of CO molecules. In contrast the central ligation of single NO was fully evidenced by DFT-based IETS simulations. Second, the bottom reactivity of heme molecules towards graphene was explored in the case of FePc on graphene/Ir interface and generalized to Fe porphine on graphene on metals. We indeed predict a novel way to covalently graft the macrocycle to graphene under attainable stimuli that crucially depends on the nature of the metal substrate interacting with graphene.

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Host: Associate professor Trolle R. Linderoth, Dept. of Physics and Astronomy & iNANO, Aarhus University