Seminarium Fotoniki
sala 1.03, ul. Pasteura 5
2022-10-20 (12:15) 
dr Katarzyna Kluczyk-Korch (IGF FUW)
Hot carriers generation in strongly coupled molecule nanoparticle systems: ab-initio approach
In strongly coupled light matter systems electronic energy levels become inextricably linked to local electromagnetic field modes. Apparent states hybridisation opens new transition paths in the system, particularly important for plasmon decay into single electron states, known as hot carriers.
We investigate the influence of coupling strength between a plasmonic resonator and a molecule on hot carrier generation using first principles calculations. Atomistic approach allows us to capture the changes in the electronic structure of the system. We show that hot carriers are not only preferably generated at excitation frequencies matching the new polaritonic resonances, but their energy distribution strongly deviates from the one corresponding to the non interacting system. This indicate existence of new plasmon decay paths, due to appearance of nanoparticle – molecule hybridised states. We observe also direct electron transfer between the plasmonic nanoparticle and the molecule. Therefore, we may conclude, that bringing plasmonic nanostructures in strong interaction with molecules gives the ability to manipulate the energy distribution of the generated hot carriers and opens possibility for charge transfer in the system.
We investigate the influence of coupling strength between a plasmonic resonator and a molecule on hot carrier generation using first principles calculations. Atomistic approach allows us to capture the changes in the electronic structure of the system. We show that hot carriers are not only preferably generated at excitation frequencies matching the new polaritonic resonances, but their energy distribution strongly deviates from the one corresponding to the non interacting system. This indicate existence of new plasmon decay paths, due to appearance of nanoparticle – molecule hybridised states. We observe also direct electron transfer between the plasmonic nanoparticle and the molecule. Therefore, we may conclude, that bringing plasmonic nanostructures in strong interaction with molecules gives the ability to manipulate the energy distribution of the generated hot carriers and opens possibility for charge transfer in the system.